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2-Bromo-3-pyridinecarboxylic acid methyl ester

2-Bromo-3-pyridinecarboxylic acid methyl ester structure

CAS No:
52718-95-3
Formula:
C7H6BrNO2
Chemical Name:
2-Bromo-3-pyridinecarboxylic acid methyl ester
Synonyms:
METHYL 2-BROMOPYRIDINE-3-CARBOXYLATE;2-BROMO-3-PYRIDINE-3-CARBOXYLIC ACID METHYL ESTER;2-BROMO-3-PYRIDINECARBOXYLIC ACID METHYL ESTER;Methyl 2-bromopyridin-3-carboxylate;Methyl 2-broMo-3-pyridinecarboxylate;3-pyridinecarboxylic acid, 2-bromo-, methyl ester
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-Bromo-3-pyridinecarboxylic acid methyl ester Basic Attributes

Molecular Weight：

216.03

Exact Mass：

214.958176

EC Number：

-0

DSSTox ID：

DTXSID70493142

HScode：

2933399090

Characteristics

PSA：

39.2

XLogP3：

1.7

Density：

1.6±0.1 g/cm3

Melting Point：

32-37°C

Boiling Point：

255.3°C at 760 mmHg

Flash Point：

108.2±21.8 °C

Refractive Index：

1.554

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromo-3-pyridinecarboxylic acid methyl ester Use and Manufacturing

In a 500 mL three-necked flask equipped with a thermometer, 61 mL (0.5 mol) of 3-diethylaminopropylene, 50 mL of a 95percent ethanol, and KHCO3 5.0 g were added first, followed by 65 mL of methyl cyanoacetate (0.6percent). Mol). Place the prepared device in the sonicator. Ultrasonic radiation conditions were set, and the reaction was carried out at a temperature of 60 °C, an ultrasonic power of 250 W, and a frequency of 150 ΚΗz. TLC test (petroleum ether: dichloromethane 1:2 development, sublimation iodine development) 3-diethylamino Acrolein reaction is complete. After that, HBr gas was introduced, the ultrasonic irradiation conditions were the same as above, the reaction was for about 35 minutes, and the reaction was followed by HPLC until the reaction was completed. After the end of the reaction, 10percent potassium hydroxide solution was added to adjust ρΗ=5-6, and the layers were separated. The aqueous layer was extracted with ethyl acetate 20 mL×3 times, and the organic layers were combined. The deionized water was washed with 10 mL water and the organic layer was sieved. The mixture was dried overnight, filtered, and the solvent was removed under reduced pressure to obtain methyl 2-bromonicotinate as a light brown liquid (97.7 g). The yield was 90.5percent.Step 2: Methyl 2-bromonicotinate (G2); A solution of of CHPart B.

Computed Properties

Molecular Weight:216.03
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:214.95819
Monoisotopic Mass:214.95819
Topological Polar Surface Area:39.2
Heavy Atom Count:11
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Bromo-3-pyridinecarboxylic acid methyl ester

CAS No.: 52718-95-3

Content: 99.00%

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Trader Supplier of 1,9-DIAMINONONANE,3-BUTYLPYRIDINE,1,3,5-Tris(trifluoromethyl)benzene,3-N-PROPYLPHENOL,Meclofenamic acid,4-Pentyloxyphenol,GERANIC ACID,gidazepam,2-(4-ethylbenzoyl)benzoic acid,METHYL 3-OXOTETRADECANOATE,1,5-DIMETHYL-2-PYRROLIDINONE,Tetradecanoic acid,3-[(1-oxotetradecyl)oxy]-,(R)-,1-OCTANESULFONYL CHLORIDE,3-Hydroxy Myristic Acid Methyl Ester

Methyl 2-bromonicotinate KEK

CAS No.: 52718-95-3

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Guide of 2-Bromo-3-pyridinecarboxylic acid methyl ester

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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2-Bromo-3-pyridinecarboxylic acid methyl ester

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