132874-06-7|Methyl 3-(bromomethyl)-2-nitrobenzoate| Ambeed

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Quality Control of [ 132874-06-7 ] Purity: 98% SDS Specification

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Product Details of [ 132874-06-7 ]

CAS No. :	132874-06-7
Formula :	C₉H₈BrNO₄
M.W :	274.07
SMILES Code :	O=C(OC)C1=CC=CC(CBr)=C1[N+]([O-])=O
MDL No. :	MFCD09863874
InChI Key :	GBBIAIKDRXKCQO-UHFFFAOYSA-N
Pubchem ID :	22509333

Safety of [ 132874-06-7 ]

GHS Pictogram:
Signal Word:	Danger
Hazard Statements:	H302-H314
Precautionary Statements:	P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501
Class:	8
UN#:	3261
Packing Group:	Ⅱ

Application In Synthesis of [ 132874-06-7 ]

* 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.

Downstream synthetic route of [ 132874-06-7 ]

[ 132874-06-7 ] Synthesis Path-Downstream 1~35

1
[ 5471-82-9 ]
[ 132874-06-7 ]

Yield	Reaction Conditions	Operation in experiment
41%	With N-Bromosuccinimide; Perbenzoic acid; In tetrachloromethane; for 12.0h;Heating / reflux;	Step B; Methyl 3-Bromomethyl-2-nitrobenzoate; Heat a mixture of methyl 3-methyl-2-nitrobenzoate (12.34 g, 63.23 mmol), benzoyl peroxide (0.920 g, 3.80 mmol) and N-bromosuccinimide (11.25 g, 63.21 mmol) in carbon tetrachloride (330 mL) at reflux under nitrogen for 12 h. Dilute the cooled mixture with methylene chloride (150 mL), treat with silica gel (30 g) and remove the solvents under reduced pressure. Purify the residue by flash column chromatography on silica gel, eluting with ethyl acetate/hexanes (15: 85), to provide methyl 3-bromomethyl-2- nitrobenzoate (1B) as a pale yellow solid (7.15 g, 41%) :'H NMR (CDC13) 8 3.91 (s, 3H), 4.46 (s, 2H), 7.58 (t, 1H), 7.74 (dd, 1H), 7.96 (dd, 1H).
35%	With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; for 12.0h;Reflux; Inert atmosphere;	Weigh compound 1 (2.34g, 12mmol), dissolve it with 0.2M carbon tetrachloride solution, add benzoyl peroxide (0.17g, 0.72mmol), NBS (2.18g, 14.16mmol), and reflux under nitrogen. 12 hours.After the mixture was cooled to room temperature, the filtrate was concentrated under reduced pressure, 30 mL of water was added, and extracted with EA three times. The organic phase was washed with brine, dried over anhydrous sodium sulfate, filtered, and distilled under reduced pressure to obtain a yellow mixture, which was subjected to column chromatography (eluent was Petroleum ether: ethyl acetate = 90: 1) to give Compound 2 (1.15 g, 35%) as a white flocculent solid.
30%	With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; for 20.0h;Inert atmosphere;	A mixture of Compound E (5.13 g, 26.3 mmol), benzoyl peroxide (511 mg, 2.11 mmol), and N- bromosuccinamide (14.1 g, 78.8 mmol) in CCU (120 mL) was heated under a nitrogen atmosphere for 20 h. The mixture was cooled to ambient temperature, diluted with dichloromethane and concentrated under reduced pressure. The residue was purified by flash column chromatography on silica gel using 10% EtOAc/hexanes (10:90) to yield Compound F (2.14 g, 7.80 mmol) in 30% yield as an off-white solid. NMR (400 MHz, CDCh) delta 7.93 (d, J= 7.7 Hz, 1H), 7.72 (d, J= 7.7 Hz, 1H), 7.57 (t, J = 7.7 Hz, 1H), 4.43 (s, 2H), 3.88 (s, 3H). MS (ES+) m/z: C9H8BrN04 requires 273/275, found 242/244 (M - MeO) 227/229 (M - N02). Physical state: Off-white solid; R/= 0.7 (mobile phase: EtOAc/hexanes, 20:80).

		Part B. Methyl 3-(bromomethyl)-2-nitrobenzoate This product was prepared by following the procedure of Example 6, but substituting methyl 3-methyl-2-nitrobenzoate for 8-methylquinoline. The product was purified by chromatography on silica gel and was crystallized from ethyl acetate:hexane; mp 91-95 C.
	With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; for 12.0h;Reflux;	Step 2: Methyl 3-(bromomethyI)-2-nitrobenzoate (A2); A mixture of (Al) (1.0 eq.), (BzO)2 (0.06 eq.) and NBS (1.18 eq.) in CCl4 (0.2 M, with respect to Al) was heated at reflux under N2 atmosphere for 12 hr. The mixture was cooled to RT, diluted with DCM, concentrated under reduced pressure whilst dry loading onto SiO2. The residue was purified by flash column chromatography on SiO2 using 10:90 EtO Ac/Petroleum ether to yield the desired (A2) as a white solid. 1H NMR (400MHz, CDCl3, 300K) delta 7.93 (1 H, d, J = 7.7 Hz), 7.72 (IH, d, J = 7.7 Hz), 7.57 (IH, t, J = 7.7 Hz), 4.43 (2H, s), 3.88 (3H, s). MS (ES) C9H8BrNO4 requires: 273:275, found: 242:244 (M-MeO)+, 227:229 (M-NO2) +.
	With N-Bromosuccinimide; dibenzoyl peroxide; In benzene; at 90.0℃;	Process 2 Bromination Benzoyl peroxide was added to the mixture of methyl 2-nitro-3-methylbenzoate (1.6 g), N-bromosucciimide (2.0g) and benzene (15 mL) and stirred at 90 C. overnight. After removing the solvent, the residue was diluted with ethyl acetate and washed with sodium thiosulfate aqueous solution, 1M sodium hydrate aqueous solution, water and saturated aqueous solution of sodium chloride respectively. Then the obtained substance was concentrated and dried, and the obtained crude material was purified with silica gel column chromatography to obtain methyl 3-bromomethyl-2-nitrobenzoate.
	With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; for 12.0h;Heating / reflux;	Step 2: Methyl 3-(bromomethyl)-2-nitrobenzoate (A2); A mixture of (Al) (1.0 eq.), (BzO)2 (0.06 eq.) and NBS (1.18 eq.) in CCl4 (0.2 M) was heated at reflux under N2 atmosphere for 12 hr. The mixture was cooled to RT, diluted with DCM, concentrated under reduced pressure whilst dry loading onto SiO2. The residue was purified by flash column chromatography on SiO2 using 10:90 EtO Ac/Petroleum ether to yield the desired (A2) as a white solid. 1H NMR (400MHz, CDCl3, 300K) delta 7.93 (IH, d, J = 7.7 Hz), 7.72 (IH, d, J = 7.7 Hz), 7.57 (IH, t, J = 7.7 Hz), 4.43 (2H, s), 3.88 (3H, s). MS (ES) C9H8BrNO4 requires: 273:275, found: 242:244 (M-MeO)+, 227:229 (M-NO2) +.

References: [1]Organic and Biomolecular Chemistry,2014,vol. 12,p. 5629 - 5633.
[2]Organic Process Research and Development,2011,vol. 15,p. 831 - 840.
[3]Journal of Organic Chemistry,1997,vol. 62,p. 5838 - 5845.
[4]Tetrahedron,2004,vol. 60,p. 2235 - 2246.
[5]Patent: WO2005/66136,2005,A1 .Location in patent: Page/Page column 88.
[6]Patent: CN110343088,2019,A .Location in patent: Paragraph 0029; 0037-0043.
[7]Patent: WO2018/236971,2018,A1 .Location in patent: Paragraph 0160.
[8]Tetrahedron Letters,2002,vol. 43,p. 5949 - 5952.
[9]Patent: US5273975,1993,A .
[10]Patent: WO2009/87381,2009,A1 .Location in patent: Page/Page column 35.
[11]Patent: US2005/222141,2005,A1 .Location in patent: Page/Page column 30.
[12]Bioorganic and Medicinal Chemistry Letters,2009,vol. 19,p. 4416 - 4420.
[13]Journal of Medicinal Chemistry,2009,vol. 52,p. 7170 - 7185.
[14]Patent: WO2007/113596,2007,A1 .Location in patent: Page/Page column 77.

2
[ 603-35-0 ]
[ 132874-06-7 ]
(3-Methoxycarbonyl-2-nitro-benzyl)-triphenyl-phosphonium; bromide [ No CAS ]

References: [1]Journal of Organic Chemistry,1997,vol. 62,p. 5838 - 5845.

3
[ 109-77-3 ]
[ 132874-06-7 ]
[ 470448-74-9 ]

References: [1]Tetrahedron Letters,2002,vol. 43,p. 5949 - 5952.

4
[ 6456-74-2 ]
[ 132874-06-7 ]
[ 681430-73-9 ]

References: [1]Tetrahedron,2004,vol. 60,p. 2235 - 2246.

5
[ 5437-38-7 ]
[ 132874-06-7 ]

References: [1]Tetrahedron,2004,vol. 60,p. 2235 - 2246.
[2]Patent: WO2007/113596,2007,A1 .
[3]Patent: WO2018/236971,2018,A1 .

6
[ 132874-06-7 ]
[ 681430-65-9 ]

References: [1]Tetrahedron,2004,vol. 60,p. 2235 - 2246.

7
[ 132874-06-7 ]
[ 681430-74-0 ]

References: [1]Tetrahedron,2004,vol. 60,p. 2235 - 2246.

8
[ 132874-06-7 ]
C₄₄H₄₄N₈O₁₃ [ No CAS ]

References: [1]Tetrahedron,2004,vol. 60,p. 2235 - 2246.

9
[ 132874-06-7 ]
[ 681430-79-5 ]

References: [1]Tetrahedron,2004,vol. 60,p. 2235 - 2246.

10
[ 132874-06-7 ]
11a-cyano-5,11,11a,12-tetrahydro-dibenzo[<i>b</i>,<i>g</i>][1,8]naphthyridine-4,7-dicarboxylic acid dimethyl ester [ No CAS ]

References: [1]Tetrahedron Letters,2002,vol. 43,p. 5949 - 5952.

11
[ 132874-06-7 ]
[ 93247-78-0 ]

References: [1]Journal of Organic Chemistry,1997,vol. 62,p. 5838 - 5845.

12
[ 132874-06-7 ]
[ 126759-37-3 ]

References: [1]Journal of Organic Chemistry,1997,vol. 62,p. 5838 - 5845.

13
[ 132874-06-7 ]
[ 138229-59-1 ]

Yield	Reaction Conditions	Operation in experiment
78%	With 4-methylmorpholine N-oxide; In acetonitrile; at 20.0℃; for 2.0h;Molecular sieve; Inert atmosphere;	Compound 2 (2.74 g, 10 mmol) was weighed into a 150 mL single-necked flask, and a mixture (0.2 M) of molecular sieve in acetonitrile was added to dissolve it. Under the protection of nitrogen, N-methylmorpholine-N-oxide (2.34) was added. g, 20 mmol), reacted at room temperature for 2 hours, concentrated and poured into water, extracted three times with EA, the organic phase was washed with 1N HCl, brine, dried, filtered, concentrated, and subjected to column chromatography (eluent is petroleum ether : Ethyl acetate = 80: 1) to give Compound 3 (1.63 g, 78%) as a pale yellow solid.
74%	With 4-methylmorpholine N-oxide; In acetonitrile; at 20.0℃; for 1.5h;	Step C; Methyl 3-Formyl-2-nitrobenzoate; Add N-methylmorpholine oxide (NMO, 6.10 g, 52.07 mmol) to a mixture of <strong>[132874-06-7]methyl 3-bromomethyl-2-nitrobenzoate</strong> (7.13 g, 26.023 mmol) and 4 A molecular sieves (35.32 g) in acetonitrile (150 mL) = at room temperature under nitrogen and stir for 1.5 h. Dilute the mixture with ethyl acetate (600 mL), filter the mixture by vacuum filtration and wash the filtrate with water (100 mL), 1 N HC1 (100 mL) and brine (150 mL) and dry over Na2S04. Remove the solvents under reduced pressure and purify the residue by flash column chromatography on silica gel, eluting with ethyl acetate/hexanes (1: 3), to provide methyl 3-formyl-2-nitrobenzoate as an off-white solid (4.04 g, 74%) : 1H NMR (CDC13) 8 3.95 (s, 3H), 7.77 (t, 1H), 8. 18 (dd, 1H), 8.28 (dd, 1H), 9. 98 (s, 1H).
54%	With 4-methylmorpholine N-oxide; In acetonitrile; at 20.0℃; for 12.0h;	To a mixture of Compound F (1.97 g, 7.18 mmol) in MeCN (20 mL) was added N- methylmorpholine N-oxide (2.15 g, 17.9 mmol) at ambient temperature, and the reaction mixture was stirred for 12 h. The reaction mixture was diluted with EtOAc, washed with water, 1 M HCl and brine. The organic extracts were dried over Na2S04, filtered and evaporated under reduced pressure. The residue was purified by flash column chromatography on silica gel using 5% EtO Ac/petroleum ether to provide Compound G (824 mg, 3.93 mmol) in 54% yield. MR (400 MHz, CDCb) delta 9.96 (s, 1H), 8.26 (d, J= 7.9 Hz, 1H), 8.18 (d, J = 7.9 Hz, 1H), 7.77 (t, J= 7.9 Hz, 1H), 3.93 (s, 3H). MS (ES -) m/z: C9H7NO5 requires 209, found 208 (M - H)". Physical state: Off- white solid; R = 0.6 (mobile phase: EtOAc/hexanes, 1 :9).

	With 4-methylmorpholine N-oxide; In acetonitrile; at 20.0℃;Molecular sieve;	Step 3: Methyl 3-formyI-2-nitrobenzoate (A3); To a mixture of (A2) (1.0 eq.) and 4A mol. sieves in MeCN (0.2M) at RT was addedNMMO (2.0 eq.) and the reaction mixture was stirred for 1.5 hr under N2 atmosphere. Then, the mixture was diluted with EtOAc, filtered and the filtrate was washed with H2O, IN HCl, brine <n="37"/>and dried (Na2SO4). Evaporation of the solvent gave (A3) as a white solid which was used in the next step without further purification. 1H NMR (400MHz, CDCl3, 300K) delta 9.96 (IH, s), 8.26 (IH, d, J= 7.9 Hz), 8.18 (IH, d, J = 7.9 Hz), 7.77 (IH, t, J = 7.9 Hz), 3.93 (3H, s). MS (ES) C9H7NO5 requires: 209, found: 208 (M-H)'.
	With 4-methylmorpholine N-oxide; In acetonitrile; at 20.0℃; for 1.5h;Molecular sieve;	Step 3: Methyl 3-formyl-2-nitrobenzoate (A3); To a mixture of (A2) and 4A mol. sieves (15 g) in MeCN (0.2M) at RT was added NMMO (2.0 eq.) and the reaction mixture was stirred for 1.5 hr under N2 atmosphere. Then, the mixture was diluted with EtOAc, filtered and the filtrate was washed with H2O, IN HCl, brine and dried (Na2SO4). Evaporation of the solvent gave (A3) as a white solid which was used in the next step without further purification. 1H NMR (400MHz, CDC13, 3OOK) delta 9.96 (IH, s), 8.26 (IH, d, J= 7.9 Hz), 8.18 (IH, d, J = 7.9 Hz), 7.77 (IH, t, J = 7.9 Hz), 3.93 (3H, s). MS (ES) C9H7NO5 requires: 209, found: 208 (M-H)".

References: [1]Patent: CN110343088,2019,A .Location in patent: Paragraph 0029; 0037; 0044-0049.
[2]Patent: WO2005/66136,2005,A1 .Location in patent: Page/Page column 88-89.
[3]Patent: WO2018/236971,2018,A1 .Location in patent: Paragraph 0160.
[4]Patent: WO2009/87381,2009,A1 .Location in patent: Page/Page column 35-36.
[5]Journal of Medicinal Chemistry,2009,vol. 52,p. 7170 - 7185.
[6]Organic Process Research and Development,2011,vol. 15,p. 831 - 840.
[7]Patent: WO2007/113596,2007,A1 .Location in patent: Page/Page column 77.

14
[ 124-40-3 ]
[ 132874-06-7 ]
[ 857870-39-4 ]

Yield	Reaction Conditions	Operation in experiment
	In methanol;	Process 3 Amination Methyl 3-bromomethyl-2-nitrobenzoate (1.6 g) was dissolved in methanol (5 mL). Methanol solution (6 mL) of 2M dimethylamine was added thereto and stirred overnight. After removing the solvent, the residue was diluted with 1M hydrochloric acid and washed with ethyl acetate. The water layer was alkalized with sodium hydrate aqueous solution and extracted with ethyl acetate. The usual workup procedure was conducted to obtain methyl 3-dimethylaminomethyl-2-nitrobenzoate.

References: [1]Patent: US2005/222141,2005,A1 .Location in patent: Page/Page column 30.

15
[ 124-41-4 ]
[ 132874-06-7 ]
[ 857870-03-2 ]

Yield	Reaction Conditions	Operation in experiment
	In methanol; for 0.0333333h;Heating / reflux;	Methanol solution (4.7 mL) of sodium methoxide (197 mg) was added dropwise into the mixture of <strong>[132874-06-7]methyl 3-bromomethyl-2-nitrobenzoate</strong> (1 g) and methanol (7 mL) under heating and refluxing. Two minutes later, the mixture was cooled down with ice and 1.82 mL of 4M hydrogen chloride dioxane solution was added dropwise thereto. After removing the solvent, diethylether and water were added and the organic layer thereof was dried over sodium sulfate. After removing the solvent, the obtained residue was purified with silica gel column chromatography to obtain 621 mg of methyl 3-methoxymethyl-2-nitrobenzoate.

References: [1]Patent: US2005/222141,2005,A1 .Location in patent: Page/Page column 41-42.

16
tert-butyl (2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl) propanoate [ No CAS ]
[ 132874-06-7 ]
[ 574741-19-8 ]

Yield	Reaction Conditions	Operation in experiment
1.85 g (57%)	With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; ammonium chloride; lithium hexamethyldisilazane; In tetrahydrofuran;	Preparation 23 Methyl 3-(2,3-dihydro-1'H-spiro[indene-1,4'-piperidine]-1'-ylmethyl)-2-oxo-1,2,3,4- tetrahydroquinoline-8-carboxylate To a stirred solution of tert-butyl (2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl) propanoate (2.00 g, 6.34 mmol)) in THF (15 ml) was added 1.0 M THF solution of lithium bis(trimethylsilyl)amide (7.6 ml, 7.6 mmol) at -78 C. After 25 min stirring, DMPU (0.92 ml, 7.61 mmol) was added to the reaction mixture at -78 C. After 25 min stirring, a solution of <strong>[132874-06-7]methyl 3-bromomethyl-2-nitrobenzoate</strong> (2.09 g, 7.61 mmol, this was prepared according to the reported method: B. C. Soderberg et al, J. Org. Chem., 1997, 62, 5838) in THF (5 ml) was added to the reaction mixture at -78 C. and the resulting reaction mixture was stirred at -78 C. for 40 min and 0 C. for 20 min. The reaction mixture was quenched with aqueous solution of NH4Cl, extracted with CH2Cl2. The extracts combined were dried (MgSO4), filtered, concentrated, and purified by silica gel column chromatography (n-hexane/ethyl acetate:5/1) to afford 1.85 g (57%) of alkylated product as colorless oil. 1H NMR (270MHz, CDCl3) delta7.89 (1H, dd,J=1.3, 7.5 Hz), 7.59 (1H, dd, J=1.5, 8.1 Hz), 7.46 (1 H, dd, J=7.7, 7.7 Hz), 7.23-7.12 (4H, m), 3.90 (3H, s), 2.92-2.59 (8H, m), 2.48-2.38 (1H, m), 2.25-2.12 (2H, m), 2.02-1.78 (4H, m), 1.39 (9H, s).

References: [1]Patent: US2003/158219,2003,A1 .

17
2,2'-azobis(2-methylpropionitrile) (AIBN) [ No CAS ]
[ 5471-82-9 ]
[ 132874-06-7 ]

Yield	Reaction Conditions	Operation in experiment
	In tetrachloromethane;	Step 2: Synthesis of Methyl 2-nitro-3-bromomethylbenzoate: Methyl 2-nitro-3-methylbenzoate (15.3 gm) was suspended in carbon tetrachloride (45 mL) along with N-bromosuccinimide (15 3 gm) and heated to reflux. 2,2'-Azobis(2-methylpropionitrile) (AIBN) (0.4 gm) was added to the refluxing solution in four equal portions over 48 hours. The reaction was cooled to room temperature, filtered, and concentrated. The residue consisted of a mixture of starting material, desired product, and dibrominated material which were difficult to separate and so were used in the next step without purification.

References: [1]Patent: US5216003,1993,A .

18
[ 132874-06-7 ]
[ 920760-14-1 ]
[ 1187238-35-2 ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2009,vol. 19,p. 4416 - 4420.

19
[ 132874-06-7 ]
[ 574741-43-8 ]

References: [1]Patent: US2003/158219,2003,A1 .

20
[ 132874-06-7 ]
[ 574741-51-8 ]

References: [1]Patent: US2003/158219,2003,A1 .

21
[ 132874-06-7 ]
[ 574741-48-3 ]

References: [1]Patent: US2003/158219,2003,A1 .

22
[ 132874-06-7 ]
[ 574741-21-2 ]

References: [1]Patent: US2003/158219,2003,A1 .

23
[ 132874-06-7 ]
[ 574741-23-4 ]

References: [1]Patent: US2003/158219,2003,A1 .

24
[ 5471-82-9 ]
[ 138229-56-8 ]
[ 132874-06-7 ]

References: [1]Organic Process Research and Development,2011,vol. 15,p. 831 - 840.

25
[ 132874-06-7 ]
[ 1038915-64-8 ]

References: [1]Organic Process Research and Development,2011,vol. 15,p. 831 - 840.
[2]Organic Process Research and Development,2011,vol. 15,p. 831 - 840.
[3]Organic Process Research and Development,2011,vol. 15,p. 831 - 840.
[4]Organic Process Research and Development,2011,vol. 15,p. 831 - 840.
[5]Organic Process Research and Development,2011,vol. 15,p. 831 - 840.
[6]Organic Process Research and Development,2011,vol. 15,p. 831 - 840.
[7]Organic Process Research and Development,2011,vol. 15,p. 831 - 840.
[8]Organic Process Research and Development,2011,vol. 15,p. 831 - 840.
[9]Organic Process Research and Development,2011,vol. 15,p. 831 - 840.
[10]Organic Process Research and Development,2011,vol. 15,p. 831 - 840.
[11]Organic Process Research and Development,2011,vol. 15,p. 831 - 840.
[12]Organic Process Research and Development,2011,vol. 15,p. 831 - 840.
[13]Organic Process Research and Development,2011,vol. 15,p. 831 - 840.
[14]Organic Process Research and Development,2011,vol. 15,p. 831 - 840.

26
[ 132874-06-7 ]
[ 1196713-67-3 ]

27
[ 132874-06-7 ]
[ 1038916-11-8 ]

28
[ 132874-06-7 ]
C₂₅H₂₉N₅O₄ [ No CAS ]

References: [1]Organic Process Research and Development,2011,vol. 15,p. 831 - 840.
[2]Organic Process Research and Development,2011,vol. 15,p. 831 - 840.

29
[ 132874-06-7 ]
[ 1038916-08-3 ]

30
[ 132874-06-7 ]
C₂₉H₃₅N₃O₆ [ No CAS ]

31
[ 132874-06-7 ]
[ 1312106-32-3 ]

References: [1]Organic Process Research and Development,2011,vol. 15,p. 831 - 840.
[2]Organic Process Research and Development,2011,vol. 15,p. 831 - 840.
[3]Patent: CN110343088,2019,A .

32
[ 132874-06-7 ]
[ 1248731-42-1 ]

References: [1]Patent: WO2014/101120,2014,A1 .

33
[ 132874-06-7 ]
[ 1616709-12-6 ]

References: [1]Patent: WO2014/101120,2014,A1 .
[2]Patent: WO2014/105666,2014,A1 .
[3]Patent: WO2014/101373,2014,A1 .

34
[ 132874-06-7 ]
[ 1616709-14-8 ]

References: [1]Patent: WO2014/101120,2014,A1 .
[2]Patent: WO2014/105666,2014,A1 .
[3]Patent: WO2014/101373,2014,A1 .

35
[ 132874-06-7 ]
[ 1616709-15-9 ]

References: [1]Patent: WO2014/101120,2014,A1 .
[2]Patent: WO2014/105666,2014,A1 .
[3]Patent: WO2014/101373,2014,A1 .

Historical Records

Technical Information

• Acyl Group Substitution • Alkyl Halide Occurrence • Bouveault-Blanc Reduction • Catalytic Hydrogenation • Complex Metal Hydride Reductions • Ester Cleavage • General Reactivity • Grignard Reaction • Hiyama Cross-Coupling Reaction • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions of Dihalides • Reactions with Organometallic Reagents • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling

Related Functional Groups of
[ 132874-06-7 ]

Aryls

A158567 [88089-94-5]

Methyl 4-(bromomethyl)-3-nitrobenzoate

Similarity: 0.93

A192298 [5471-82-9]

Methyl 3-methyl-2-nitrobenzoate

Similarity: 0.90

A247077 [158580-57-5]

Methyl 4-bromo-2-nitrobenzoate

Similarity: 0.89

A107781 [138229-59-1]

Methyl 3-formyl-2-nitrobenzoate

Similarity: 0.89

A315352 [861593-27-3]

3-(Methoxycarbonyl)-2-nitrobenzoic acid

Similarity: 0.89

Bromides

A158567 [88089-94-5]

Methyl 4-(bromomethyl)-3-nitrobenzoate

Similarity: 0.93

A247077 [158580-57-5]

Methyl 4-bromo-2-nitrobenzoate

Similarity: 0.89

A508259 [98475-07-1]

Methyl 2-(bromomethyl)-3-nitrobenzoate

Similarity: 0.87

A308455 [55715-03-2]

4-(Bromomethyl)-3-nitrobenzoic acid

Similarity: 0.86

A131769 [223519-08-2]

Methyl 3-bromo-4-methyl-5-nitrobenzoate

Similarity: 0.86

Esters

A158567 [88089-94-5]

Methyl 4-(bromomethyl)-3-nitrobenzoate

Similarity: 0.93

A192298 [5471-82-9]

Methyl 3-methyl-2-nitrobenzoate

Similarity: 0.90

A247077 [158580-57-5]

Methyl 4-bromo-2-nitrobenzoate

Similarity: 0.89

A107781 [138229-59-1]

Methyl 3-formyl-2-nitrobenzoate

Similarity: 0.89

A315352 [861593-27-3]

3-(Methoxycarbonyl)-2-nitrobenzoic acid

Similarity: 0.89

Benzyl Bromides

A158567 [88089-94-5]

Methyl 4-(bromomethyl)-3-nitrobenzoate

Similarity: 0.93

A508259 [98475-07-1]

Methyl 2-(bromomethyl)-3-nitrobenzoate

Similarity: 0.87

A308455 [55715-03-2]

4-(Bromomethyl)-3-nitrobenzoic acid

Similarity: 0.86

A260328 [90725-68-1]

Methyl 2-(bromomethyl)-5-nitrobenzoate

Similarity: 0.86

A204520 [133446-99-8]

Methyl 2-(bromomethyl)-4-nitrobenzoate

Similarity: 0.86

Nitroes

A158567 [88089-94-5]

Methyl 4-(bromomethyl)-3-nitrobenzoate

Similarity: 0.93

A192298 [5471-82-9]

Methyl 3-methyl-2-nitrobenzoate

Similarity: 0.90

A247077 [158580-57-5]

Methyl 4-bromo-2-nitrobenzoate

Similarity: 0.89

A107781 [138229-59-1]

Methyl 3-formyl-2-nitrobenzoate

Similarity: 0.89

A315352 [861593-27-3]

3-(Methoxycarbonyl)-2-nitrobenzoic acid

Similarity: 0.89

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

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

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CAS No.: 132874-06-7

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CAS No.: 132874-06-7

Alternative Products

Product Details of [ 132874-06-7 ]

Safety of [ 132874-06-7 ]

Application In Synthesis of [ 132874-06-7 ]

[ 132874-06-7 ] Synthesis Path-Downstream 1~35

Related Products

Historical Records

Technical Information

Categories

Related Functional Groups of
[ 132874-06-7 ]

Aryls

Bromides

Esters

Benzyl Bromides

Nitroes

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Molarity Calculator

Total Compounds Calculator

Dissolution Calculator

{[proInfo.proName]}

CAS No.: 132874-06-7

{[proInfo.proName]}

CAS No.: 132874-06-7

Alternative Products

Product Details of [ 132874-06-7 ]

Safety of [ 132874-06-7 ]

Application In Synthesis of [ 132874-06-7 ]

[ 132874-06-7 ] Synthesis Path-Downstream 1~35

Related Products

Historical Records

Technical Information

Categories

Related Functional Groups of [ 132874-06-7 ]

Aryls

Bromides

Esters

Benzyl Bromides

Nitroes

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Molarity Calculator

Total Compounds Calculator

Dissolution Calculator

Related Functional Groups of
[ 132874-06-7 ]