2-broMo-3-Methyl-pyridine-3-carboxyl acid
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2-broMo-3-Methyl-pyridine-3-carboxyl acid
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CAS No:
1211516-25-4
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Formula:
C7H6BrNO2
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Chemical Name:
2-broMo-3-Methyl-pyridine-3-carboxyl acid
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Synonyms:
6-Bromo-5-methylpicolinic acid;6-bromo-5-methylpyridine-2-carboxylic acid;6-BROMO-5-METHYL-2-PYRIDINECARBOXYLIC ACID;6-Bromo-5-methyl-pyridine-2-carboxylic acid;SCHEMBL14152594;DTXSID80856860;KS-00000RR0;ZINC95830097;AKOS022173859;CS-W006311
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CAS No:
2-broMo-3-Methyl-pyridine-3-carboxyl acid Basic Attributes
216.03204
214.958176
-0
DTXSID80856860
2933399090
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-broMo-3-Methyl-pyridine-3-carboxyl acid Use and Manufacturing
6-Bromo-5-methyl-pyridine-2-carbonitrile (1.0 g, 5.0 mmol) was added to a solution of sodium hydroxide (0.3 g, 7 mmol) in water (20 mL), the mixture was stirred at 120° C. overnight. Subsequently, the mixture was adjusted to pH=3 and extracted with ethyl acetate (2.x.15 mL). The organic extracts were washed with brine, dried over anhydrous sodium sulfate and concentrated to give the product (0.7 g, 63.8percent); MS (EI): m/e 216.0 [M+H]6-Bromo-5-methyl-pyridine-2-carbonitrile (1.0 g, 5.0 mmol) was added to a solution of sodium hydroxide (0.3 g, 7 mmol) in water (20 mL), the mixture was stirred at 120° C. overnight. Subsequently, the mixture was adjusted to pH=3 and extracted with ethyl acetate (2.x.15 mL). The organic extracts were washed with brine, dried over anhydrous sodium sulfate and concentrated to give the product (0.7 g, 63.8percent); MS (EI): m/e 216.0 [M+H]6-Bromo-5-methyl-pyridine-2-carbonitrile (1.0 g, 5.0 mmol) was added to a solution of sodium hydroxide (0.3 g, 7 mmol) in water (20 mL), the mixture was stirred at 120° C. overnight. Subsequently, the mixture was adjusted to pH=3 and extracted with ethyl acetate (2.x.15 mL). The organic extracts were washed with brine, dried over anhydrous sodium sulfate and concentrated to give the product (0.7 g, 63.8percent); MS (EI): m/e 216.0 [M+H]+.6-Bromo-5-methyl-pyridine-2-carbonitrile (1.0 g, 5.0 mmol) was added to a solution of sodium hydroxide (0.3 g, 7 mmol) in water (20 mL), the mixture was stirred at 120°C overnight. Subsequently, the mixture was adjusted to pH = 3 and extracted with ethyl acetate (2 x 15 mL). The organic extracts were washed with brine, dried over anhydrous sodium sulfate and concentrated to give the product (0.7 g, 63.8percent); MS (EI): m/e 216.0 [M+H]+.6-Bromo-5-methyl-pyridine-2-carbonitrile (1.0 g, 5.0 mmol) was added to a solution of sodium hydroxide (0.3 g, 7 mmol) in water (20 mL), the mixture was stirred at 120° C. overnight. Subsequently, the mixture was adjusted to pH=3 and extracted with ethyl acetate (2.x.15 mL). The organic extracts were washed with brine, dried over anhydrous sodium sulfate and concentrated to give the product (0.7 g, 63.8percent); MS (EI): m/e 216.0 [M+H]+.6-Bromo-5-methyl-pyridine-2-carbonitrile (1.0 g, 5.0 mmol) was added to a solution of sodium hydroxide (0.3 g, 7 mmol) in water (20 mL), the mixture was stirred at 120°C overnight. Subsequently, the mixture was adjusted to pH = 3 and extracted with ethyl acetate (2 x 15 mL). The organic extracts were washed with brine, dried over anhydrous sodium sulfate and concentrated to give the product (0.7 g, 63.8percent); MS (EI): m/e 216.0 [M+H]+.3-Chlorophenylboronic acid (CAN 63503-60-6, 0.61 g, 3.9 mmol), 1, 1'-bis(diphenyl-phosphino)ferrocene-palladium(II)dichloride methylene chloride complex (CAN 95464-05-4, 53 mg, 0.065 mmol) and potassium carbonate (CAN 584-08-7, 0.54 g, 3.9 mmol) was added to a solution of 3-Chlorophenylboronic acid (CAN 63503-60-6, 0.61 g, 3.9 mmol), 1 , l'-bis(diphenyl- phosphino)ferrocene-palladium(II)dichloride methylene chloride complex (CAN 95464- 05-4, 53 mg, 0.065 mmol) and potassium carbonate (CAN 584-08-7, 0.54 g, 3.9 mmol) was added to a solution of
Computed Properties
Molecular Weight:216.03
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:214.95819
Monoisotopic Mass:214.95819
Topological Polar Surface Area:50.2
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-broMo-3-Methyl-pyridine-3-carboxyl acid
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