197007-87-7|(4-Bromopyridin-3-yl)methanol| Ambeed

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Quality Control of [ 197007-87-7 ] Purity: 97% SDS Specification

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Product Details of [ 197007-87-7 ]

CAS No. :	197007-87-7
Formula :	C₆H₆BrNO
M.W :	188.02
SMILES Code :	OCC1=C(Br)C=CN=C1
MDL No. :	MFCD09910219
InChI Key :	DDZMBVCLSZAYOT-UHFFFAOYSA-N
Pubchem ID :	435086

Safety of [ 197007-87-7 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P305+P351+P338

Application In Synthesis of [ 197007-87-7 ]

* 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 [ 197007-87-7 ]

[ 197007-87-7 ] Synthesis Path-Downstream 1~34

1
[ 100-39-0 ]
[ 197007-87-7 ]
[ 197007-88-8 ]

References: [1]Bioorganic and medicinal chemistry letters,1999,vol. 9,p. 1341 - 1346.

2
[ 154105-64-3 ]
[ 197007-87-7 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium tetrahydroborate; In ethanol; at 0℃; for 0.5h;	4-Bromo-pyridine-3-carbaldehycie (240 mg) in ethanol (10 ml_) at 0C was treated with sodium borohydride (139 mg) for 30 min. The reaction mixture was then diluted with ethyl acetate and washed with aqueous ammonium chloride and brine to yield (4-bromo-pyridin-3-yl)-methanol as a white solid.1HNMR (CDCI3, 300 MHz) delta (ppm): 10.4 (s, 1 H), 9.01 (s, 1 H), 8.56 (d, J = 5.1 Hz, 1 H), 7.63 (d, J = 5.1 Hz, 1 H).
	With sodium tetrahydroborate; In ethanol; at 0℃; for 0.5h;	4-Bromo-pyridine-3-carbaldehyde (240 mg) in ethanol (10 ml_) at 0C was treated with sodium borohydride (139 mg) for 30 min. The reaction mixture was then diluted with ethyl acetate and washed with aqueous ammonium chloride and brine to yield (4-bromo-pyridin-3-yl)-methanol as a white solid.1HNMR (CDCI3, 300 MHz) delta (ppm): 10.4 (s, 1 H), 9.01 (s, 1 H), 8.56 (d, J = 5.1 Hz, 1 H), 7.63 (d, J = 5.1 Hz, 1 H).
		Step A: (4-Bromo-3-pyridyl)methanol 0.2 g of sodium borohydride is added in portions to a solution of 1 g of 4-bromonicotinaldehyde in 50 ml of MeOH at 0 C. The whole is then stirred for 6 hours gradually returning to ambient temperature. The reaction mixture is cooled to 0 C., then hydrolyzed with a saturated NH4Cl solution and extracted with CH2Cl2. The organic phases are then combined, washed with a saturated NaCl solution, dried over magnesium sulphate and then concentrated to dryness. The title compound is obtained in the form of a light brown gel which is used as is in the following Step.

References: [1]Organic Letters,2008,vol. 10,p. 2701 - 2704.
[2]Bioorganic and medicinal chemistry letters,1999,vol. 9,p. 1341 - 1346.
[3]Patent: WO2006/91769,2006,A1 .Location in patent: Page/Page column 45.
[4]Patent: WO2006/91800,2006,A2 .Location in patent: Page/Page column 45.
[5]Patent: US2008/188460,2008,A1 .Location in patent: Page/Page column 13.

3
[ 197007-87-7 ]
[ 216011-87-9 ]
[ 216012-93-0 ]

References: [1]Tetrahedron Letters,1999,vol. 40,p. 4073 - 4076.

4
[ 19524-06-2 ]
[ 197007-87-7 ]

References: [1]Bioorganic and medicinal chemistry letters,1999,vol. 9,p. 1341 - 1346.

5
[ 197007-87-7 ]
(6aR,12bS)-10,11-Dimethoxy-5,6,6a,7,8,12b-hexahydro-3,6-diaza-benzo[c]phenanthrene [ No CAS ]

References: [1]Bioorganic and medicinal chemistry letters,1999,vol. 9,p. 1341 - 1346.

6
[ 197007-87-7 ]
(6aR,12bS)-5,6,6a,7,8,12b-Hexahydro-3,6-diaza-benzo[c]phenanthrene-10,11-diol [ No CAS ]

References: [1]Bioorganic and medicinal chemistry letters,1999,vol. 9,p. 1341 - 1346.

7
[ 197007-87-7 ]
(1S,2R)-1-(3-Chloromethyl-pyridin-4-yl)-6,7-dimethoxy-1,2,3,4-tetrahydro-naphthalen-2-ylamine [ No CAS ]

References: [1]Bioorganic and medicinal chemistry letters,1999,vol. 9,p. 1341 - 1346.

8
[ 197007-87-7 ]
[4-((1S,2R)-2-Amino-6,7-dimethoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-pyridin-3-yl]-methanol [ No CAS ]

References: [1]Bioorganic and medicinal chemistry letters,1999,vol. 9,p. 1341 - 1346.

9
[ 197007-87-7 ]
[4-((1S,2R)-6,7-Dimethoxy-2-nitro-1,2,3,4-tetrahydro-naphthalen-1-yl)-pyridin-3-yl]-methanol [ No CAS ]

References: [1]Bioorganic and medicinal chemistry letters,1999,vol. 9,p. 1341 - 1346.

10
[ 197007-87-7 ]
[(1S,2R)-1-(3-Chloromethyl-pyridin-4-yl)-6,7-dimethoxy-1,2,3,4-tetrahydro-naphthalen-2-yl]-carbamic acid tert-butyl ester [ No CAS ]

References: [1]Bioorganic and medicinal chemistry letters,1999,vol. 9,p. 1341 - 1346.

11
[ 197007-87-7 ]
3-Benzyloxymethyl-4-((1S,2R)-6,7-dimethoxy-2-nitro-1,2,3,4-tetrahydro-naphthalen-1-yl)-pyridine [ No CAS ]

References: [1]Bioorganic and medicinal chemistry letters,1999,vol. 9,p. 1341 - 1346.

12
[ 197007-87-7 ]
[(1S,2R)-1-(3-Hydroxymethyl-pyridin-4-yl)-6,7-dimethoxy-1,2,3,4-tetrahydro-naphthalen-2-yl]-carbamic acid tert-butyl ester [ No CAS ]

References: [1]Bioorganic and medicinal chemistry letters,1999,vol. 9,p. 1341 - 1346.

13
[ 197007-87-7 ]
Methanesulfonic acid 4-((1S,2R)-2-tert-butoxycarbonylamino-6,7-dimethoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-pyridin-3-ylmethyl ester [ No CAS ]

References: [1]Bioorganic and medicinal chemistry letters,1999,vol. 9,p. 1341 - 1346.

14
[ 24964-64-5 ]
[ 197007-87-7 ]
3-{hydroxy-[3-(hydroxy-phenyl-methyl)-pyridin-4-yl]-methyl}-benzonitrile [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With n-butyllithium; In tetrahydrofuran; at -78℃; for 0.5h;	To a solution of <strong>[197007-87-7](4-bromo-pyridin-3-yl)-methanol</strong> (53 mg 0.2 mmol) in THF (2 ml_) at -78C was added dropwise 2.5 M n-butyllithium (0.24 mL, 0.6 mmol). After 15 min a solution of 3-cyanobenzaldehyde (79 mg) in THF (0.5 ml) was added. The reaction mixture was stirred for 15 min, then quenched with ammonium chloride solution and extracted with ethyl acetate. The organic layer was dried over sodium sulfate, concentrated and the residue purified by flash chromatography to yield 3-{hydroxy-[3-(hydroxy-phenyl-methyl)-pyridin-4- yl]-methyl}-benzonitrile as white crystals.LCMS: 2.250 min, m/z: 317 (M + 1).

References: [1]Patent: WO2006/91769,2006,A1 .Location in patent: Page/Page column 64.

15
[ 24964-64-5 ]
[ 197007-87-7 ]
3-[hydroxy-(3-hydroxymethyl-pyridin-4-yl)-methyl]-benzonitrile [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With n-butyllithium; In tetrahydrofuran; at -78℃; for 0.5h;	To a solution of <strong>[197007-87-7](4-bromo-pyridin-3-yl)-methanol</strong> (20 mg, 0.11 mmol) inTHF (1 ml_) at -78C was added dropwise 2. 5M ?-butyllithium (0.22 ml_). After 15 min, a solution of 3-cyanobenzaldehyde (69 mg) in THF (0.5 ml_) was added. The reaction mixture was stirred for 15 min, then quenched with ammonium chloride solution and extracted with ethyl acetate. The organic layer was dried over sodium sulfate, concentrated, and the residue purified by flash chromatography to yield 3-[hydroxy-(3-hydroxymethyl-pyridin-4-yl)- methyl]-benzonitrile as a white solid.
	With n-butyllithium; In tetrahydrofuran; at -78℃; for 0.5h;	To a solution of <strong>[197007-87-7](4-bromo-pyridin-3-yl)-methanol</strong> (20 mg, 0.11 mmol) inTHF (1 mL) at -78C was added dropwise 2. 5M n-butyllithium (0.22 mL). After 15 min, a solution of 3-cyanobenzaldehyde (69 mg) in THF (0.5 mL) was added. The reaction mixture was stirred for 15 min, then quenched with ammonium chloride solution and extracted with ethyl acetate. The organic layer was dried over sodium sulfate, concentrated, and the residue purified by flash chromatography to yield 3-[hydroxy-(3-hydroxymethyl-pyridin-4-y\|)- methyl]-benzonitrile as a white solid.

References: [1]Patent: WO2006/91769,2006,A1 .Location in patent: Page/Page column 63.
[2]Patent: WO2006/91800,2006,A2 .Location in patent: Page/Page column 63.

16
[ 150255-96-2 ]
[ 197007-87-7 ]
3-(3-hydroxymethyl-pyridin-4-yl)-benzonitrile [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium carbonate;tetrakis(triphenylphosphine) palladium(0); In water; toluene;Heating / reflux;	To a flask charged with (4-bromo-pyridin-3~yl)-methanol (90 mg, 0.48 mmol), 3-cyanophenylboronic acid (84.4 mg, 0.57 mmol) and tetrakis(triphenylphousphine)-palladium(0) (28 mg) was added 2 M Na2CO3 (2 mL) and toluene (3 ml_). The reaction mixture was refluxed overnight and then extracted with ethyl acetate. The organic layer was dried over sodium sulfate and purified by column chromatography to yield 3-(3-Hydroxymethyl-pyridin-4- yl)-benzonitrile as a white solid.1HNMR (CDCI3, 300 MHz) delta (ppm) 8.74 (s, 1 H), 8.60 (d, J = 4.8 Hz, 1 H), 7.9-7.2 (m, 7H), 4.62 (s, 2H), 3.34 (bs, 1 H); LCMS: 2.815 min, m/z: 211 (M + 1)
	With sodium carbonate;tetrakis(triphenylphosphine) palladium(0); In water; toluene;Heating / reflux;	To a flask charged with <strong>[197007-87-7](4-bromo-pyridin-3-yl)-methanol</strong> (90 mg, 0.48 mmol), 3-cyanophenylboronic acid (84.4 mg, 0.57 mmol) and tetrakis(triphenylphousphine)-palladium(0) (28 mg) was added 2 M Na2COe (2 ml_) and toluene (3 ml_). The reaction mixture was refluxed overnight and then extracted with ethyl acetate. The organic layer was dried over sodium sulfate and purified by column chromatography to yield 3-(3-Hydroxymethyl-pyridin-4- yl)-benzonitrile as a white solid.1HNMR (CDCI3, 300 MHz) delta (ppm) 8.74 (s, 1 H), 8.60 (d, J= 4.8 Hz, 1 H), 7.9-7.2 (m, 7H), 4.62 (s, 2H), 3.34 (bs, 1 H); LCMS: 2.815 min, m/z: 211 (M + 1).

References: [1]Patent: WO2006/91769,2006,A1 .Location in patent: Page/Page column 45.
[2]Patent: WO2006/91800,2006,A2 .Location in patent: Page/Page column 45.

17
[ 1679-18-1 ]
[ 197007-87-7 ]
[ 1053265-80-7 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium carbonate;tetrakis(triphenylphosphine) palladium(0); In 1,2-dimethoxyethane; ethanol; water; at 80℃; for 18.25h;	Step B: [4-(4-Chlorophenyl)-3-pyridyl]methanol 0.335 g of Pd(Ph3)4, 0.453 g of 4-chlorophenylboronic acid and then 2.9 ml of a 2M aqueous Na2CO3 solution are added in succession to a suspension of 0.545 g of the compound of Step A in a mixture of DME/EtOH (7.5 ml/3 ml). The whole is degassed under argon for 15 minutes and then heated at 80 C. for 18 hours. The reaction mixture is then filtered at ambient temperature. The filtrate is then hydrolyzed and extracted with CH2Cl2. The organic phases are combined, washed with a saturated NaCl solution and then dried over magnesium sulphate and concentrated to dryness. The resulting solid is finally purified by chromatography over silica gel (CH2Cl2/MeOH) to yield the title compound.

References: [1]Patent: US2008/188460,2008,A1 .Location in patent: Page/Page column 13.

18
[ 533-58-4 ]
[ 197007-87-7 ]
[ 1037830-79-7 ]

References: [1]Organic Letters,2008,vol. 10,p. 2701 - 2704.

19
[ 197007-87-7 ]
[ 1616102-14-7 ]

References: [1]Patent: WO2014/98259,2014,A1 .

20
[ 197007-87-7 ]
[ 74-88-4 ]
[ 1616105-25-9 ]

Yield	Reaction Conditions	Operation in experiment
84%		To a mixture solution of <strong>[197007-87-7](4-bromopyridin-3-yl)methanol</strong> (304 mg, 1.62 mmol)and tetrahydrofuran (10 mL) was added 60% sodium hydride (434 mg, 10.9 mmol) with cooling with ice. This mixture was stirred for 10 minutes with cooling with ice, subsequently heated to room temperature, and then stirred for 7 hours at the temperature. After the reaction mixture was cooled with ice, methyl iodide (0.11 mL, 1.78 mmol) was added thereto. This mixture was heated to room temperature and stirred for 7 hours at the temperature. After the mixture was cooled with ice, water (202 5 mL) was added thereto, followed by extracting with ethyl acetate. The organic layer was washed with brine, and anhydrous sodium sulfate was added to dry the layer. After anhydrous sodium sulfate was removed by filtration, the solvent was distilled off under reduced pressure and the residue was purified by flash chromatography to obtain 4-bromo-3-(methoxymethyl)pyridine (275 mg; yield, 84%).

References: [1]Patent: WO2014/98259,2014,A1 .Location in patent: Page/Page column 41.

21
[ 197007-87-7 ]
4-((4-(tert-butyl)phenyl)ethynyl)nicotinaldehyde O-methyloxime [ No CAS ]

References: [1]Patent: JP2016/14016,2016,A .

22
[ 197007-87-7 ]
[ 1616102-18-1 ]

References: [1]Patent: JP2016/14016,2016,A .

23
[ 197007-87-7 ]
4-((4-(tert-butyl)phenyl)ethynyl)nicotinaldehyde oxime [ No CAS ]

References: [1]Patent: JP2016/14016,2016,A .

24
[ 197007-87-7 ]
4-((4-(tert-butyl)phenyl)ethynyl)nicotinaldehyde O-isopropyloxime [ No CAS ]

References: [1]Patent: JP2016/14016,2016,A .

25
[ 772-38-3 ]
[ 197007-87-7 ]
[ 1616102-13-6 ]

Yield	Reaction Conditions	Operation in experiment
	With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In N,N-dimethyl-formamide; at 80℃; for 6.0h;Inert atmosphere;	<strong>[197007-87-7](4-bromopyridin-3-yl)methanol</strong> (0.84 g, 5.32 mmol), 4-tert-Butylphenyl acetylene (1.0 g, 5.32 mmol), triethylamine (2.5 mL, 17.9 mmol), bis(triphenylphosphine)palladium(II) dichloride (0.19 g, 0.27 mmol), copper(I) iodide (0.06 g, 0.29 mmol), N,N-dimethylformamide (15 mL) Under a nitrogen atmosphere, the mixture was stirred for 6 hours at 80C. Was allowed to cool to room temperature, water was added, and the mixture was extracted with ethyl acetate to the reaction solution. The organic layer was washed with saturated brine, and dried with anhydrous sodium sulfate. After removing anhydrous sodium sulfate by filtration, the solvent was evaporated under reduced pressure. Flash chromatograph the residueIt over was purified (eluent n- heptane / ethyl acetate) to obtain the desired product (1.73 g, purity 69%, 85% yield).
	With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In N,N-dimethyl-formamide; at 80℃; for 6.0h;Inert atmosphere;	<strong>[197007-87-7](4-bromopyridin-3-yl)methanol</strong> (0.84 g, 5.32 mmol), 4-tert-butylphenylacetylene (1.0 g, 5.32 mmol), triethylamine (2.5 mL, 17.9 mmol), bis (triphenylphosphine) palladium (II) dichloride (0.19 g, 0.27 mmol), copper iodide (I) (0.06 g, 0.29 mmol), N, N- dimethylformamide (15 mL) under a nitrogen atmosphere and stirred for 6 hours at 80 C.. Was allowed to cool to room temperature, water was added, and the mixture was extracted with ethyl acetate to the reaction solution. The organic layer was washed with saturated brine, and dried with anhydrous sodium sulfate. After removing anhydrous sodium sulfate by filtration, the solvent was evaporated under reduced pressure. The residue was purified by flash chromatography purification (eluent n- heptane / ethyl acetate) to obtain the desired product (1.73 g, purity 69%, 85% yield).

References: [1]Patent: JP2016/14016,2016,A .Location in patent: Paragraph 0050.
[2]Patent: JP2016/11294,2016,A .Location in patent: Paragraph 0114.

26
[ 772-38-3 ]
[ 197007-87-7 ]
[ 1616102-18-1 ]

References: [1]Patent: JP2016/11294,2016,A .

27
[ 197007-87-7 ]
[ 108-95-2 ]
4-((4-(tert-butyl)phenyl)ethynyl)-3-(phenoxymethyl)pyridine [ No CAS ]

References: [1]Patent: JP2016/11294,2016,A .

28
[ 197007-87-7 ]
[ 108-95-2 ]
4-bromo-3-(phenoxymethyl)pyridine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
88%	With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; toluene; at 20℃; for 15.0h;Cooling with ice;	(4-bromo-pyridin-3-yl) methanol (300 mg, 1.60 mmol), phenol (157 mg, 1.67 mmol), triphenylphosphine (634 mg, 2.42 mmol), in a mixed solution of tetrahydrofuran (15 mL), ice under cold, 40% diethyl azodicarboxylate toluene solution (1.1 mL, 2.42 mmol) was added. The temperature was raised to room temperature, the mixture was stirred at the same temperature for 15 hours. The solvent was evaporated under reduced pressure, and the residue was purified by flash chromatography was purified (eluent n- heptane / ethyl acetate) to obtain the desired product (372 mg, 88% yield).

References: [1]Patent: JP2016/11294,2016,A .Location in patent: Paragraph 0116.

29
[ 197007-87-7 ]
[ 1053265-83-0 ]

References: [1]Patent: US2008/188460,2008,A1 .

30
[ 197007-87-7 ]
1-methyl-1,5-dihydropyrazolo[3′,4′:5,6]pyrano[3,4-c]pyridine [ No CAS ]

References: [1]Journal of Organic Chemistry,2019,vol. 84,p. 5855 - 5862.

31
[ 197007-87-7 ]
4-bromo-3-(((1-methyl-1H-pyrazol-4-yl)oxy)methyl)pyridine [ No CAS ]

References: [1]Journal of Organic Chemistry,2019,vol. 84,p. 5855 - 5862.

32
[ 124-63-0 ]
[ 197007-87-7 ]
C₇H₈BrNO₃S [ No CAS ]

References: [1]Journal of Organic Chemistry,2019,vol. 84,p. 5855 - 5862.

33
N-(2-(3-bromophenyl)propan-2-yl)-2-(trifluoromethyl)benzenesulfonamide [ No CAS ]
[ 197007-87-7 ]
N-(2-(3-(3-(hydroxymethyl)pyridin-4-yl)phenyl)propan-2-yl)-2-(trifluoromethyl)benzenesulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		EtOH (1.8 mL) was added into a mixture of 4-bromo-3-ethylpyridinehydrobromide (49 mg, 0.18 mmol), B2(OH)4 (49 mg, 0.55 mmol), XPhos-Pd-G2 (14 mg, 0.018 mmol), XPhos (17 mg, 0.037 mmol), and KOAc (54 mg, 0.55 mmol). The reaction was degassed via N2 and stirred at 80C overnight. After cooling to room temperature, solutions of N-(2-(3-bromophenyl)propan-2-yl)-2-(trifluoromethyl)benzenesulfonamide (Intermediate 1J) (100 mg, 0.24 mmol) in EtOH/THF (0.3 mL/0.3 mL) and K2C03 (1.8 M, 0.31 mL, 0.55 mmol) were added respectively into the reaction. The mixture was degassed via N2 again and stirred at 85C overnight. The reaction was cooled to room temperature, filtered through celite, washed with EtOAc (3X), and concentrated in vacuo to give a residue which was dissolved into EtOAc. This solution was washed with brine (IX), dried over sodium sulfate, filtered, and concentrated in vacuo. The residue was purified by MS-HPLC to afford the title compound (16 mg, 20%). LCMS (method A): m/z 449.3 (M+H)+. NMR (CDC13) delta 8.54 (s, 1H), 8.46 (d, 1H), 7.83 (d, 1H), 7.79 (d, 1H), 7.59 (t, 1H), 7.47 (t, 1H), 7.31 (m, 2H), 7.21 (t, 1H), 7.11 (dt, 1H), 7.03 (d, 1H), 5.28 (s, 1H), 2.63 (q, 2H), 1.69 (s, 6H), 1.13 (t, 3H).

References: [1]Patent: WO2018/5801,2018,A2 .Location in patent: Page/Page column 145; 148.

34
N-(2-(3-bromophenyl)propan-2-yl)-3-(trifluoromethyl)benzenesulfonamide [ No CAS ]
[ 197007-87-7 ]
N-(2-(3-(3-(hydroxymethyl)pyridin-4-yl)phenyl)propan-2-yl)-3-(trifluoromethyl)benzenesulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		EtOH (1.8 mL) was added into a mixture of 4-bromo-3-ethylpyridinehydrobromide (49 mg, 0.18 mmol), B2(OH)4 (49 mg, 0.55 mmol), XPhos-Pd-G2 (14 mg, 0.018 mmol), XPhos (17 mg, 0.037 mmol), and KOAc (54 mg, 0.55 mmol). The reaction was degassed via N2 and stirred at 80C overnight. After cooling to room temperature, solutions of N-(2-(3-bromophenyl)propan-2-yl)-2-(trifluoromethyl)benzenesulfonamide (Intermediate 1J) (100 mg, 0.24 mmol) in EtOH/THF (0.3 mL/0.3 mL) and K2C03 (1.8 M, 0.31 mL, 0.55 mmol) were added respectively into the reaction. The mixture was degassed via N2 again and stirred at 85C overnight. The reaction was cooled to room temperature, filtered through celite, washed with EtOAc (3X), and concentrated in vacuo to give a residue which was dissolved into EtOAc. This solution was washed with brine (IX), dried over sodium sulfate, filtered, and concentrated in vacuo. The residue was purified by MS-HPLC to afford the title compound (16 mg, 20%). LCMS (method A): m/z 449.3 (M+H)+. NMR (CDC13) delta 8.54 (s, 1H), 8.46 (d, 1H), 7.83 (d, 1H), 7.79 (d, 1H), 7.59 (t, 1H), 7.47 (t, 1H), 7.31 (m, 2H), 7.21 (t, 1H), 7.11 (dt, 1H), 7.03 (d, 1H), 5.28 (s, 1H), 2.63 (q, 2H), 1.69 (s, 6H), 1.13 (t, 3H).

References: [1]Patent: WO2018/5801,2018,A2 .Location in patent: Page/Page column 145; 146.

Historical Records

Technical Information

• Alkyl Halide Occurrence • Appel Reaction • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chugaev Reaction • Corey-Kim Oxidation • Dess-Martin Oxidation • General Reactivity • Grignard Reaction • Hiyama Cross-Coupling Reaction • Hydride Reductions • Jones Oxidation • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Martin's Sulfurane Dehydrating Reagent • Mitsunobu Reaction • Moffatt Oxidation • Oxidation of Alcohols by DMSO • Preparation of Alcohols • Preparation of Amines • Reactions of Alcohols • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Dihalides • Reactions with Organometallic Reagents • Ritter Reaction • Sharpless Olefin Synthesis • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling • Swern Oxidation

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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.: 197007-87-7

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CAS No.: 197007-87-7

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[ 197007-87-7 ] Synthesis Path-Downstream 1~34

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