[ CAS No. 253429-31-1 ] {[proInfo.proName]}

Name: 253429-31-1|7-Bromo-4-fluorobenzofuran|97%
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Quality Control of [ 253429-31-1 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 253429-31-1 ]

CAS No. :	253429-31-1	MDL No. :	MFCD09056781
Formula :	C₈H₄BrFO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IYRKPHRAECMQTJ-UHFFFAOYSA-N
M.W :	215.02	Pubchem ID :	22144769
Synonyms :

Calculated chemistry of [ 253429-31-1 ]

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	43.87
TPSA :	13.14 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.4 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.31
Log Po/w (XLOGP3) :	3.12
Log Po/w (WLOGP) :	3.75
Log Po/w (MLOGP) :	2.73
Log Po/w (SILICOS-IT) :	3.49
Consensus Log Po/w :	3.08

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.74
Solubility :	0.0388 mg/ml ; 0.00018 mol/l
Class :	Soluble
Log S (Ali) :	-3.06
Solubility :	0.185 mg/ml ; 0.000861 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.42
Solubility :	0.00808 mg/ml ; 0.0000376 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.31

Safety of [ 253429-31-1 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 253429-31-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 253429-31-1 ]
Downstream synthetic route of [ 253429-31-1 ]

[ 253429-31-1 ] Synthesis Path-Upstream 1~4

1
[ 253429-18-4 ]
[ 253429-31-1 ]

Yield	Reaction Conditions	Operation in experiment
51%	With polyphosphoric acid In toluene for 5 h; Reflux	A solution of 2-Bromo-5-fluorophenol (228.00 g, 1.19 mol), Potassium carbonate (247.47 g, 1.79 mol) in N,N-Dimethylformamide (3.00 L) was treated with 2-Bromo-1,1-diethoxyethane (197.54 mL, 1.31 mol) and heated at 135 °C for 7 h. The reaction mixture was concentrated in vacuo and extracted with EtOAc (3 * 2 L). The combined organic layers were washed with aq NaOH (2 M, 4 L). The organic layer was dried (MgSO₄), filtered, concentrated in vacuo to yield 1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene (362.00 g; Yield = 98percent) that was used as it is in the next step. ¹H NMR (400 MHz, D₆-DMSO) δ 7.58 (d, 1H, J = 6.8 & 8.8 Hz), 7.11 (dd, 1H, J = 2.8 & 10.8 Hz), 6.76 (dt, 1H, J = 2.2 & 8.1 Hz), 4.81 (t, 1H, J = 5.1 Hz), 4.03 (d, 2H, J = 5.1 Hz), 3.73-3.56 (m, 4H), 1.13 (t, 6H, J = 6.6 Hz). A solution of 1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene (352.00 g, 1.15 mol) in toluene (2500 mL, 2.3 mol) was treated with polyphosphoric acid (370.00 g, 3.4 mol) and heated at reflux for 5 h. The reaction mixture was concentrated in vacuo diluted with water (3 L) and the extracted with EtOAc (4 L). The organic layer was washed with aq NaOH (2 L), filtered, concentrated in vacuo and purified by distillation at reduced pressure to yield (4) 7-bromo-4-fluorobenzofuran (125.00 g; Yield = 51percent. bp 80 °C (1 mm/Hg) as a colorless liquid which solidified at rt. ¹H NMR (400 MHz, CDCl₃) δ 7.67 (d, 1H, J = 2.2 Hz), 7.39 (dd, 1H J = 5.1 & 3.7 Hz), 6.94 (d, 1H, J = 2.2 Hz), 6.86 (t, 1H, J = 8.8 Hz).

Reference： [1] Bioorganic and Medicinal Chemistry, 2014, vol. 22, # 1, p. 447 - 458

2
[ 664364-73-2 ]
[ 253429-31-1 ]

Reference： [1] Patent: EP1553074, 2005, A1, . Location in patent: Page/Page column 47

3
[ 147460-41-1 ]
[ 253429-31-1 ]

Reference： [1] Bioorganic and Medicinal Chemistry, 2014, vol. 22, # 1, p. 447 - 458
[2] Patent: WO2008/82484, 2008, A1,
[3] Patent: CN108658908, 2018, A,

4
[ 2032-35-1 ]
[ 147460-41-1 ]
[ 253429-31-1 ]

Reference： [1] Synlett, 2004, # 8, p. 1351 - 1354

[ 253429-31-1 ] Synthesis Path-Downstream 1~88

1
[ 75-77-4 ]
[ 79099-07-3 ]
[ 253429-31-1 ]
4-(4-fluoro-2-trimethylsilanyl-benzofuran-7-yl)-4-hydroxy-piperidine-1-carboxylic acid <i>tert</i>-butyl ester [ No CAS ]
4-(4-fluoro-2,5-bis-trimethylsilanyl-benzofuran-7-yl)-4-hydroxy-piperidine-1-carboxylic acid <i>tert</i>-butyl ester [ No CAS ]

Reference： [1]Synlett,2004,p. 1351 - 1354

2
[ 75-77-4 ]
[ 253429-31-1 ]
(7-bromo-4-fluoro-benzofuran-2-yl)-trimethyl-silane [ No CAS ]

Reference： [1]Synlett,2004,p. 1351 - 1354

3
[ 75-77-4 ]
[ 253429-31-1 ]
(7-bromo-4-fluoro-benzofuran-2-yl)-trimethyl-silane [ No CAS ]
7-bromo-4-fluoro-2,5-bis-trimethylsilanyl-benzofuran [ No CAS ]

Reference： [1]Synlett,2004,p. 1351 - 1354

4
1-bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene [ No CAS ]
[ 253429-31-1 ]

Yield	Reaction Conditions	Operation in experiment
52%	With polyphosphoric acid; In 1,2-dichloro-ethane; at 83℃; for 3h;	Add 1-bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene (0102-2) to the reaction flask.(2.75g, 8.95mmol, 1.0 eq),Polyphosphoric acid (9.08 g, 26.86 mmol, 3.0 eq.) and 1,2-dichloroethane (40 mL),The mixture was heated to 83 C for 3 hours.The reaction solution was cooled to room temperature and then washed with water (30 mL×2).concentrate,Purification by silica gel column chromatography (petroleum ether) afforded the product as a pale yellow solid, 7-bromo-4-fluorobenzofuran(0.992 g, yield: 52%).
51%	With polyphosphoric acid; In toluene; for 5h;Reflux;	A solution of 2-Bromo-5-fluorophenol (228.00 g, 1.19 mol), Potassium carbonate (247.47 g, 1.79 mol) in N,N-Dimethylformamide (3.00 L) was treated with 2-Bromo-1,1-diethoxyethane (197.54 mL, 1.31 mol) and heated at 135 C for 7 h. The reaction mixture was concentrated in vacuo and extracted with EtOAc (3 * 2 L). The combined organic layers were washed with aq NaOH (2 M, 4 L). The organic layer was dried (MgSO4), filtered, concentrated in vacuo to yield 1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene (362.00 g; Yield = 98%) that was used as it is in the next step. 1H NMR (400 MHz, D6-DMSO) delta 7.58 (d, 1H, J = 6.8 & 8.8 Hz), 7.11 (dd, 1H, J = 2.8 & 10.8 Hz), 6.76 (dt, 1H, J = 2.2 & 8.1 Hz), 4.81 (t, 1H, J = 5.1 Hz), 4.03 (d, 2H, J = 5.1 Hz), 3.73-3.56 (m, 4H), 1.13 (t, 6H, J = 6.6 Hz). A solution of 1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene (352.00 g, 1.15 mol) in toluene (2500 mL, 2.3 mol) was treated with polyphosphoric acid (370.00 g, 3.4 mol) and heated at reflux for 5 h. The reaction mixture was concentrated in vacuo diluted with water (3 L) and the extracted with EtOAc (4 L). The organic layer was washed with aq NaOH (2 L), filtered, concentrated in vacuo and purified by distillation at reduced pressure to yield (4) 7-bromo-4-fluorobenzofuran (125.00 g; Yield = 51%. bp 80 C (1 mm/Hg) as a colorless liquid which solidified at rt. 1H NMR (400 MHz, CDCl3) delta 7.67 (d, 1H, J = 2.2 Hz), 7.39 (dd, 1H J = 5.1 & 3.7 Hz), 6.94 (d, 1H, J = 2.2 Hz), 6.86 (t, 1H, J = 8.8 Hz).
50.8%	With PPA; In toluene; for 5h;Heating / reflux;	Step B - Synthesis of Compound 16C; 16B 16C; A solution of compound 16B (352.00 g, 1.15 mol) in toluene (2500 mL, 2.3 mol) was treated with polyphosphoric acid (370.00 g, 3.4 mol) and heated at reflux for 5 hours. The reaction mixture was concentrated in vacuo diluted with water (3L) and the extracted with EtOAc (4 L). The organic layer was washed with aqueous NaOH (2L), filtered, concentrated in vacuo and purified by distillation at reduced pressure to provide compound 16C (125.00 g, 50.8%). Bp. 80 0C (lmm/Hg) as a colorless liquid which solidified at room temperature. 1H <n="145"/>NMR (400 MHz5CDCl3) delta 7.67 (d, I HJ = 2.2 Hz), 7.39 (dd, 1 H J =5.1 & 3.7 Hz), 6.94 (d, 1 H, J = 2.2 Hz), 6.86 (t, 1 H, J = 8.8 Hz).

50.8%	With PPA; In toluene; for 5h;Heating; Reflux;	A solution of compound 3B (352.00 g, 1.15 mol) in toluene (2500 mL, 2.3 mol) was treated with polyphosphoric acid (370.00 g, 3.4 mol) and heated at reflux for 5 hours. The reaction mixture was concentrated in vacuo, diluted with water (3L) and then extracted with EtOAc (4 L). The organic layer was washed with aqueous NaOH (2L), filtered, concentrated in vacuo and purified using distillation at reduced pressure to provide compound 3C (125.00 g, 50.8%). Bp. 80 0C (lmm/Hg) as a colorless liquid which solidified at room temperature. 1H NMR (400 MHz,CDCl3) delta 7.67 (d, I HJ = 2.2 Hz)5 7.39 (dd, 1 H J =5.1 & 3.7 Hz), 6.94 (d, 1 H, J - 2.2 Hz), 6.86 (t, I R J = 8.8 Hz).
50.8%	With PPA; Polyphosphoric acid (PPA); In toluene; for 5h;Heating / reflux;	Step B - Synthesis of Compound 126C; A solution of compound 126B (352.00 g, 1.15 mol) in toluene (2500 mL, 2.3 mol) was treated with polyphosphoric acid (370.00 g, 3.4 mol) and heated at reflux for 5 hours. The reaction mixture was concentrated in vacuo diluted with water (3L) and the extracted with EtOAc (4 L). The organic layer was washed with aqueous NaOH (2L), filtered, concentrated in vacuo and purified by distillation at reduced pressure to provide compound 126C (125.00 g, 50.8%). Bp. 80 0C (lmm/Hg) as a colorless liquid which solidified at room temperature. 1H NMR (400 MHz5CDCl3) delta 7.67 (d, 1 H, J = 2.2 Hz), 7.39 (dd, 1 H J =5.1 & 3.7 Hz), 6.94 (d, 1 H, J = 2.2 Hz), 6.86 (t, 1 H, J = 8.8 Hz).
	With PPA; In chlorobenzene;	Scheme I, step B: 2-(2-Bromo-5-fluorophenol) acetaldehyde diethyl acetal (21 g, prepared above) were combined with polyphosphoric acid (50 g) and chlorobenzene (250 mL) in a manner analogous to the procedure described in Example 9, Scheme I, step B to provide 4-fluoro-7-bromo-benzo(b)furan (8 g).

Reference： [1]Patent: CN108658908,2018,A .Location in patent: Paragraph 0153; 0155
[2]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458
[3]Patent: WO2009/32123,2009,A2 .Location in patent: Page/Page column 143-144
[4]Patent: WO2009/152200,2009,A1 .Location in patent: Page/Page column 58
[5]Patent: WO2008/82484,2008,A1 .Location in patent: Page/Page column 173
[6]Patent: US6353008,2002,B1 .Location in patent: Page column 50

5
[ 557-21-1 ]
[ 253429-31-1 ]
[ 664364-74-3 ]

Yield	Reaction Conditions	Operation in experiment
	tetrakis(triphenylphosphine) palladium(0); In N,N-dimethyl-formamide; at 100℃; for 2.5h;	Reference Example 57 A mixture of <strong>[253429-31-1]7-bromo-4-fluoro-1-benzofuran</strong> (5.30 g), zinc cyanide (1.74 g), tetrakis(triphenylphosphine)palladium(0) (2.85 g), and N,N-dimethylformamide (160 mL) was stirred at 100C for 2.5 hours under argon atmosphere. After cooling to room temperature, the reactant was poured into water and extracted with ethyl acetate. Insolubles were filtered off using celite. The organic layer was washed with brine, dried and concentrated. The obtained residue was purified by silica gel column chromatography to obtain 4-fluoro-1-benzofuran-7-carbonitrile (3.63 g). 1H-NMR (300 MHz, CDCl3) delta: 6.96 (1H, d, J=2.4 Hz), 7.03 (1H, d, J=8.7 Hz), 7.60 (1H, dd, J=8.7 and 5.1 Hz), 7.74 (1H, d, J=2.4 Hz). IR (KBr) 2232, 1497, 1271 cm-1

Reference： [1]Patent: EP1553074,2005,A1 .Location in patent: Page/Page column 47

6
[ 664364-73-2 ]
[ 253429-31-1 ]

Yield	Reaction Conditions	Operation in experiment
	With PPA; In xylene; at 150℃; for 7.5h;	Reference Example 56 A mixture of 1-bromo-2-(2,2-dimethoxyethoxy)-4-fluorobenzene (20.6 g), polyphosphoric acid (45.1 g), and xylene (500 mL) was stirred at 150C for 7.5 hours. After cooling to room temperature, the insolubles were removed by decantation and the supernatant was concentrated. The obtained residue was purified by silica gel column chromatography to obtain 7-bromo-4-fluoro-1-benzofuran (5.30 g). 1H-NMR (300 MHz, CDCl3) delta: 6.86 (1H, d, J=8.7 Hz), 6.93 (1H, d, J=2.1 Hz), 7.38 (1H, dd, J=8.7 and 4.5 Hz), 7.66 (1H, d, J=2.1 Hz).

Reference： [1]Patent: EP1553074,2005,A1 .Location in patent: Page/Page column 47

Yield	Reaction Conditions	Operation in experiment
		Preparation of 4-Fluoro-7-bromo-benzo(b)furan Scheme I, step B: 2-(2-Bromo-5-fluorophenol)acetaldehyde diethyl acetal (21 g, prepared above) were combined with polyphosphoric acid (50 g) and chlorobenzene (250 mL) in a manner analogous to the procedure described in Example 9, Scheme I, step B to provide 4-fluoro-7-bromo-benzo(b)furan (8 g).

8
[ 68-12-2 ]
[ 253429-31-1 ]
4-fluorobenzofuran-7-carbaldehyde [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
93.9%		Step C- Synthesis of Compound 16D; A solution of compound 16C (124.12 g, 577.25 mmol) in ether (2.0 L) was cooled to - 78 0C and treated dropwise with a solution of 2.5 M of n-butyllithium in hexane (235.5 mL) and allowed to stir at -78 C for 15 minutes. To this reaction mixture was added DMF (89.393 mL, 1.15 mol) and allowed to stir at -78 C for 30 minutes. The reaction mixture was quenched with methanol (23.383 mL, 577.25 mmol) and warmed to room temperature. The reaction mixture was diluted with ether (300 mL) and the organic layer was washed with water (300 mL). The separated organic layer was dried (MgSO4) filtered, concentrated in vacuo to provide compound 16D (89.00 g, 93.9%).
93.9%		A solution of compound 3C (124.12 g. 577.25 mmol) in ether (2.0 L) was cooled to - 78 0C and treated dropwise with a solution of 2.5 M of n-butyllithium in hexane (235.5 mL) and allowed to stir at -78 0C for 15 minutes. To this reaction mixture was added DMF (89.393 <n="61"/>mL. 1.15 mol) and allowed to stir at -78 0C for 30 minutes. The reaction mixture was quenched with methanol (23.383 mL, 577.25 mmol) and warmed to room temperature. The reaction mixture was diluted with ether (300 mL) and the organic layer was washed with water (300 mL). The separated organic layer was dried (MgS O4) filtered, concentrated in vacuo to provide compound 3D (89.00 g, 93.9%).
93.9%		A solution of <strong>[253429-31-1]7-bromo-4-fluorobenzofuran</strong> (4) (124.12 g, 577.25 mmol) in ether (2.0 L) was cooled to -78 C and treated drop wise with a solution of 2.5 M of n-Butyllithium in Hexane (235.5 mL) and stirred at -78 C for 15 min. To this reaction mixture was added N,N-Dimethylformamide (89.393 mL, 1.15 mol) and stirred at -78 C for 30 min. The reaction mixture was quenched with methanol (23.383 mL, 577.25 mmol) and warmed to rt. It was diluted with ether (300 ml) and the organic layer was washed with water (300 mL). The seperated organic layer was dried (MgSO4) filtered, concentrated in vacuo to yield 4-Fluorobenzofuran-7-carbaldehyde (5) (89.00 g; Yield = 93.9%). Analysis of the product by 1H NMR indicated that the reaction mixture was pure. It was therefore taken to the next step as it is. 1H NMR 10.35 (s, 1H), 7.81 (dd, 1H, J = 5.2 & 8.0 Hz), 7.76 (d, 1H, J = 2.0 Hz), 7.07 (t, 1H, J = 8.8 Hz), 6.95 (d, 1H, J = 2.2 Hz).

93.9%

Step C - Synthesis of Compound 126D; A solution of compound 126C (124.12 g, 577.25 mmol) in ether (2.0 L) was cooled to -78 C and treated dropwise with a solution of 2.5 M of n-butyllithium in hexane (235.5 mL) and allowed to stir at -78 C for 15 minutes. To this reaction mixture was added DMF (89.393 mL, 1.15 mol) and allowed to stir at -78 C for 30 minutes. The reaction mixture was quenched with methanol (23.383 mL, 577.25 mmol) and warmed to room temperature. The reaction mixture was diluted with ether (300 mL) and the organic layer was washed with water (300 mL). The separated organic layer was dried (MgSO4) filtered, concentrated in vacuo to provide compound 126D (89.00 g, 93.9%).

Reference： [1]Patent: WO2009/32123,2009,A2 .Location in patent: Page/Page column 144
[2]Patent: WO2009/152200,2009,A1 .Location in patent: Page/Page column 58; 59
[3]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458
[4]Patent: WO2008/82484,2008,A1 .Location in patent: Page/Page column 174

9
[ 101385-93-7 ]
[ 253429-31-1 ]
1-(t-butoxycarbonyl)-3-(4-fluoro-7-benzo(b)furan)-3-hydroxypyrrolidine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		Scheme I, step C: 4-Fluoro-7-bromo-benzo(b)furan (5.58 g, 26 mmol) is combined with magnesium (1.26 g, 52 mmol) in diethyl ether (100 mL) and the mixture is stirred for 30 minutes. Then 1,2-dibromoethane (0.5 mL) is added. After 15 minutes an additional amount of 1,2-dibromoethane (1.7 mL) is added over 2 hours. It is then heated to gentle reflux for one hour and then cooled to room temperature. 1-(t-Butoxycarbonyl)-3-pyrrolidone (23.6 mmol) dissolved in diethyl ether is then added to the reaction mixture and the reaction is stirred overnight. Then ethyl acetate (100 mL) and water (200 mL) are added followed by addition of 1N HCl until the layers separate. The layers are separated and the aqueous is extracted with ethyl acetate (2 times). The organic extracts are combined, dried over anhydrous magnesium sulfate, filtered and concentrated under vacuum to provide the title compound.

Reference： [1]Patent: US6353008,2002,B1 .Location in patent: Page column 51

10
[ 253429-18-4 ]
[ 253429-31-1 ]

Yield	Reaction Conditions	Operation in experiment
51%	With polyphosphoric acid; In toluene; for 5h;Reflux;	A solution of 2-Bromo-5-fluorophenol (228.00 g, 1.19 mol), Potassium carbonate (247.47 g, 1.79 mol) in N,N-Dimethylformamide (3.00 L) was treated with 2-Bromo-1,1-diethoxyethane (197.54 mL, 1.31 mol) and heated at 135 C for 7 h. The reaction mixture was concentrated in vacuo and extracted with EtOAc (3 * 2 L). The combined organic layers were washed with aq NaOH (2 M, 4 L). The organic layer was dried (MgSO4), filtered, concentrated in vacuo to yield 1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene (362.00 g; Yield = 98%) that was used as it is in the next step. 1H NMR (400 MHz, D6-DMSO) delta 7.58 (d, 1H, J = 6.8 & 8.8 Hz), 7.11 (dd, 1H, J = 2.8 & 10.8 Hz), 6.76 (dt, 1H, J = 2.2 & 8.1 Hz), 4.81 (t, 1H, J = 5.1 Hz), 4.03 (d, 2H, J = 5.1 Hz), 3.73-3.56 (m, 4H), 1.13 (t, 6H, J = 6.6 Hz). A solution of 1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene (352.00 g, 1.15 mol) in toluene (2500 mL, 2.3 mol) was treated with polyphosphoric acid (370.00 g, 3.4 mol) and heated at reflux for 5 h. The reaction mixture was concentrated in vacuo diluted with water (3 L) and the extracted with EtOAc (4 L). The organic layer was washed with aq NaOH (2 L), filtered, concentrated in vacuo and purified by distillation at reduced pressure to yield (4) 7-bromo-4-fluorobenzofuran (125.00 g; Yield = 51%. bp 80 C (1 mm/Hg) as a colorless liquid which solidified at rt. 1H NMR (400 MHz, CDCl3) delta 7.67 (d, 1H, J = 2.2 Hz), 7.39 (dd, 1H J = 5.1 & 3.7 Hz), 6.94 (d, 1H, J = 2.2 Hz), 6.86 (t, 1H, J = 8.8 Hz).

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

11
[ 253429-31-1 ]
6-((1-(tert-butoxycarbonyl)-6-fluoro-1H-indazol-5-yl)methyl)-4-fluorofuro[2,3-e]pyrido[3',2',5,6]pyrano[3,4-b]indol-7(6H)-one [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

12
[ 253429-31-1 ]
[ 1199811-64-7 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

13
[ 253429-31-1 ]
5-((3-(bis(tert-butoxycarbonyl)amino)-1-(tert-butoxycarbonyl)-6-fluoro-1H-indazole-5-yl)methyl)-4-fluorofuro[2,3-e]pyrido[3',2',5,6]pyrano[3,4-b]indol-7(6H)-one [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

14
[ 253429-31-1 ]
[ 1037759-20-8 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

15
[ 253429-31-1 ]
2-(dimethylamino)ethyl 4-fluoro-6-((6-fluoro-1H-indazol-5-yl)methyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-6H-furo[2,3-e]indole-7-carboxylate [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

16
[ 253429-31-1 ]
[ 1037759-43-5 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

17
[ 253429-31-1 ]
6-((3-amino-5-fluoro-1H-indazol-6-yl)methyl)-4-fluoro-8-(2-oxo-1,2-dihydropyridin-3-yl)-6H-furo[2,3-e]indole-7-carboxylic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

18
[ 253429-31-1 ]
[ 1199811-99-8 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

19
[ 253429-31-1 ]
6-((2-aminoquinolin-4-yl)methyl)-4-fluoro-8-(2-oxo-1,2-dihydropyridin-3-yl)-6H-furo[2,3-e]indole-7-carboxylic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

20
[ 253429-31-1 ]
[ 1199812-89-9 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

21
[ 253429-31-1 ]
[ 1126420-57-2 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

22
[ 253429-31-1 ]
C₂₆H₂₁F₃N₂O₄ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

23
[ 253429-31-1 ]
C₂₆H₂₁F₃N₂O₄ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

24
[ 253429-31-1 ]
C₂₅H₁₇F₃N₂O₄ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

25
[ 253429-31-1 ]
C₂₇H₂₃F₂N₅O₄ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

26
[ 253429-31-1 ]
C₂₆H₁₉F₂N₅O₄ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

27
[ 253429-31-1 ]
C₂₈H₂₅F₂N₅O₄ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

28
[ 253429-31-1 ]
C₂₉H₂₅FN₄O₄ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

29
[ 253429-31-1 ]
[ 1199812-02-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

30
[ 253429-31-1 ]
C₂₈H₂₅FN₄O₄ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

31
[ 253429-31-1 ]
C₂₇H₂₁FN₄O₄ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

32
[ 253429-31-1 ]
C₂₇H₂₁F₂N₅O₄ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

33
[ 253429-31-1 ]
C₁₉H₁₅FN₂O₄ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

34
[ 253429-31-1 ]
C₂₇H₂₃FN₄O₄ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

35
[ 253429-31-1 ]
C₂₆H₁₉FN₄O₄ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

36
[ 253429-31-1 ]
C₂₉H₂₀ClFN₄O₅ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

37
[ 253429-31-1 ]
C₂₄H₁₃F₂N₅O₃ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

38
[ 253429-31-1 ]
C₁₃H₉FINO₃ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

39
[ 253429-31-1 ]
C₁₈H₁₃FN₂O₄ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

40
[ 253429-31-1 ]
C₁₆H₉FN₂O₄ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

41
[ 253429-31-1 ]
C₁₆H₇FN₂O₃ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

42
[ 253429-31-1 ]
C₂₁H₁₀F₂N₂O₃ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

43
[ 253429-31-1 ]
C₂₄H₁₅F₂N₃O₅ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

44
[ 253429-31-1 ]
[ 1037763-91-9 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458
[2]Patent: WO2008/82484,2008,A1

45
[ 253429-31-1 ]
(Z)-ethyl 2-azido-3-(4-fluorobenzofuran-7-yl)acrylate [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

46
[ 253429-31-1 ]
[ 1037764-05-8 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458
[2]Patent: WO2008/82484,2008,A1

47
[ 253429-31-1 ]
C₁₃H₁₀FNO₃ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

48
[ 253429-31-1 ]
[ 1037763-99-7 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458
[2]Patent: WO2008/82484,2008,A1

49
[ 253429-31-1 ]
[ 1037764-16-1 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458
[2]Patent: WO2008/82484,2008,A1

50
[ 253429-31-1 ]
[ 1037764-11-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458
[2]Patent: WO2008/82484,2008,A1

51
[ 253429-31-1 ]
[ 1037764-20-7 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

52
[ 253429-31-1 ]
4-fluoro-6-[(2-fluoro-5-cyanophenyl)methyl]furo[2,3-e]pyrido[3,4-B]indol-7(6H)-one [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

53
[ 253429-31-1 ]
[ 1037759-77-5 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

54
[ 253429-31-1 ]
[ 1126422-21-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

55
[ 253429-31-1 ]
[ 1037760-06-7 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458

56
[ 147460-41-1 ]
[ 253429-31-1 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 447 - 458
[2]Patent: WO2008/82484,2008,A1
[3]Patent: CN108658908,2018,A

57
[ 253429-31-1 ]
[ 1037763-95-3 ]

Reference： [1]Patent: WO2008/82484,2008,A1

58
[ 253429-31-1 ]
C₁₃H₁₀FN₃O₃ [ No CAS ]

Reference： [1]Patent: WO2008/82484,2008,A1

59
[ 253429-31-1 ]
C₁₆H₉FN₂O₃ [ No CAS ]

Reference： [1]Patent: WO2008/82484,2008,A1

60
[ 253429-31-1 ]
C₂₆H₁₅ClFN₃O₃ [ No CAS ]

Reference： [1]Patent: WO2008/82484,2008,A1

61
[ 253429-31-1 ]
[ 1037764-79-6 ]

Reference： [1]Patent: WO2008/82484,2008,A1

62
[ 253429-31-1 ]
[ 1037764-77-4 ]

Reference： [1]Patent: WO2008/82484,2008,A1

63
[ 253429-31-1 ]
[ 1037759-34-4 ]

Reference： [1]Patent: WO2008/82484,2008,A1

64
[ 253429-31-1 ]
[ 1037760-18-1 ]

Reference： [1]Patent: WO2008/82484,2008,A1

65
[ 253429-31-1 ]
[ 1037763-85-1 ]

Reference： [1]Patent: WO2008/82484,2008,A1

66
[ 253429-31-1 ]
[ 1037759-93-5 ]

Reference： [1]Patent: WO2008/82484,2008,A1

67
[ 253429-31-1 ]
[ 1037762-33-6 ]

Reference： [1]Patent: WO2008/82484,2008,A1

68
[ 253429-31-1 ]
(E)-2-(2,6-dimethyl-4-(3-(4-(methylthio)benzofuran-7-yl)-3-oxoprop-1-en-1-yl)phenoxy)acetic acid [ No CAS ]

Reference： [1]Patent: CN108658908,2018,A

69
[ 253429-31-1 ]
1-(4-(ethylthio)benzofuran-7-yl)etha n-1-one [ No CAS ]

Reference： [1]Patent: CN108658908,2018,A

70
[ 253429-31-1 ]
(E)-1-(4-(ethylthio)benzofuran-7-yl)-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-en-1-one [ No CAS ]

Reference： [1]Patent: CN108658908,2018,A

71
[ 253429-31-1 ]
tert-butyl (E)-2-(4-(3-(4-(ethylthio)benzofuran-7-yl)-3-oxoprop-1-en-1-yl)-2,6-dimethylphenoxy)-2-methylpropanoate [ No CAS ]

Reference： [1]Patent: CN108658908,2018,A

72
[ 253429-31-1 ]
1-(4-(isobutylthio)benzofuran-7-yl)ethan-1-one [ No CAS ]

Reference： [1]Patent: CN108658908,2018,A

73
[ 253429-31-1 ]
(E)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(4-(isobutylthio)benzofuran-7-yl)prop-2-en-1-one [ No CAS ]

Reference： [1]Patent: CN108658908,2018,A

74
[ 253429-31-1 ]
tert-butyl (E)-2-(4-(3-(4-(isobutylthio)benzofuran-7-yl)-3-oxoprop-1-en-1-yl)-2,6-dimethylphenoxy)-2-methylpropanoate [ No CAS ]

Reference： [1]Patent: CN108658908,2018,A

75
[ 253429-31-1 ]
(E)-2-(2,6-dimethyl-4-(3-(4-(methylamino)benzofuran-7-yl)-3-oxo prop-1-en-1-yl)phenoxy)-2-methylpropanoic acid [ No CAS ]

Reference： [1]Patent: CN108658908,2018,A

76
[ 253429-31-1 ]
1-(4-(methylamino)benzofuran-7-yl)ethan-1-one [ No CAS ]

Reference： [1]Patent: CN108658908,2018,A

77
[ 253429-31-1 ]
ethyl (E)-2-(2,6-dimethyl-4-(3-(4-(methylamino)benzofuran-7-yl)-3-oxoprop-1-en-1-yl)phenoxy)-2-methylpropanoate [ No CAS ]

Reference： [1]Patent: CN108658908,2018,A

78
[ 253429-31-1 ]
(E)-2-(2,6-dimethyl-4-(3-(4-(methylthio)benzofuran-7-yl)-3-oxoprop-1-en-1-yl)phenoxy)-2-methylpropanoic acid [ No CAS ]

Reference： [1]Patent: CN108658908,2018,A

79
[ 253429-31-1 ]
1-(4-(methylthio)benzofuran-7-yl)eth an-1-one [ No CAS ]

Reference： [1]Patent: CN108658908,2018,A

80
[ 253429-31-1 ]
(E)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(4-(methylthio)benzofuran-7-yl)prop-2-en-1-one [ No CAS ]

Reference： [1]Patent: CN108658908,2018,A

81
[ 253429-31-1 ]
tert-butyl(E)-2-(2,6-dimethyl-4-(3-(4-(methylthio)benzofuran-7-yl)-3-oxoprop-1-en-1-yl)phenoxy)-2-methylpropanoate [ No CAS ]

Reference： [1]Patent: CN108658908,2018,A

82
[ 253429-31-1 ]
(E)-3-(4-hydroxyphenyl)-1-(4-(methylthio)benzofuran-7-yl)prop-2-en-1-one [ No CAS ]

Reference： [1]Patent: CN108658908,2018,A

83
[ 253429-31-1 ]
(E)-tert-butyl 2-methyl-2-(4-(3-(4-(methylthio)benzofuran-7-yl)-3-oxoprop-1-en-1-yl)phenoxy)propanoate [ No CAS ]

Reference： [1]Patent: CN108658908,2018,A

84
[ 253429-31-1 ]
(E)-tert-butyl 2-(2,6-dimethyl-4-(3-(4-(methylthio)benzofuran-7-yl)-3-oxoprop-1-en-1-yl)phenoxy)acetate [ No CAS ]

Reference： [1]Patent: CN108658908,2018,A

85
[ 253429-31-1 ]
(E)-2-(4-(3-(4-(ethylthio)benzofuran-7-yl)-3-oxoprop-1-en-1-yl)-2,6-dimethylphenoxy)-2-methylpropanoic acid [ No CAS ]

Reference： [1]Patent: CN108658908,2018,A

86
[ 253429-31-1 ]
(E)-2-(4-(3-(4-(isobutylthio)benzofuran-7-yl)-3-oxoprop-1-en-1-yl)-2,6-dimethylphenoxy)-2-methylpropanoic acid [ No CAS ]

Reference： [1]Patent: CN108658908,2018,A

87
[ 253429-31-1 ]
(E)-2-methyl-2-(4-(3-(4-(methylthio)benzofuran-7-yl)-3-oxoprop-1-en-1-yl)phenoxy)propanoic acid [ No CAS ]

Reference： [1]Patent: CN108658908,2018,A

88
[ 78191-00-1 ]
[ 253429-31-1 ]
1-(4-fluorobenzofuran-7-yl)ethan-1-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
36%		7-Bromo-4-fluorobenzofuran (0103-2) (0.95 g, 4.42 mmol, 1.0 eq.)Dissolved in anhydrous toluene (15 mL), cooled to -78 C with dry ice acetone bath.Then n-butyllithium (2.5 M, 2.47 mL, 6.19 mmol, 1.4 eq.) was slowly added dropwise.After the completion of the dropwise addition, the mixture was stirred at -78 C for 1.5 hours.N-methoxy-N-methylacetamide (1.17 mL, 11.05 mmol, 2.5 eq.)It was added dropwise and then slowly warmed to room temperature and stirred for 4 hours.The reaction was quenched by the addition of saturated ammonium chloride solution (50 mL).The aqueous layer was extracted with ethyl acetate (30 mL×3).The organic layers were combined and dried over anhydrous sodium sulfate.Concentration, the obtained crude product was purified by silica gel column chromatography ( petroleum ether: ethyl acetate = 30:1)Purification of the pale yellow solid product 1-(4-fluorobenzofuran-7-yl)ethan-1-one(0.28 g, yield: 36%).

Reference： [1]Patent: CN108658908,2018,A .Location in patent: Paragraph 0153; 0156

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 253429-31-1 ] {[proInfo.proName]}

Quality Control of [ 253429-31-1 ]

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Product Details of [ 253429-31-1 ]

Calculated chemistry of [ 253429-31-1 ]

Physicochemical Properties

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Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

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Application In Synthesis of [ 253429-31-1 ]

[ 253429-31-1 ] Synthesis Path-Upstream 1~4

[ 253429-31-1 ] Synthesis Path-Downstream 1~88

Related Functional Groups of [ 253429-31-1 ]

Fluorinated Building Blocks

Bromides

Related Parent Nucleus of [ 253429-31-1 ]

Benzofurans

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Prevention

Response

Storage

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[ 253429-31-1 ]

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[ 253429-31-1 ]