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3-ACETYL-5-BROMOPYRIDINE

3-ACETYL-5-BROMOPYRIDINE structure

CAS No:
38940-62-4
Formula:
C7H6BrNO
Chemical Name:
3-ACETYL-5-BROMOPYRIDINE
Synonyms:
3-ACETYL-5-BROMOPYRIDINE;1-(5-BROMOPYRIDIN-3-YL)ETHANONE;Ethanone, 1-(5-bromo-3-pyridinyl)-;3-BROMO-5-ACETYLPYRIDINE;5-Acetyl-3-bromopyridine;1-(5-broMopyridin-3-yl)ethan-1-one;3-Acetyl-5-bromopyridine,97%;5-Bromo-3-acetylpyridine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Hoar or pale yellow solid

3-ACETYL-5-BROMOPYRIDINE Basic Attributes

Molecular Weight：

200.03

Exact Mass：

198.963272

BRN：

112808

DSSTox ID：

DTXSID10356207

HScode：

2933399090

Characteristics

PSA：

XLogP3：

1.2

Appearance：

powder

Density：

1.5±0.1 g/cm3

Melting Point：

77-79°C

Boiling Point：

279.3°C at 760 mmHg

Flash Point：

122.7±23.2 °C

Refractive Index：

1.558

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-22

safety instructions：

26-36/37/39-36/37-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (88.89%): 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|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-ACETYL-5-BROMOPYRIDINE Use and Manufacturing

To a solution of 5-bromo-N-methoxy-N-methyl-nicotinamide (2.08 g, 8.5 mmol) in THF (20 mL) was added MeMgBr (1.52 g, 12.75 mmol) at −78° C. After the addition, the reaction mixture was stirred at room temperature for 2 hours before quenching with water. After extraction with EtOAC, the organic layer was washed with brine, dried over anhydrous Na[B] 1 -(5-Bromo-pyridin-3-yl)-ethanoneTo a solution of 5-bromo-N-methoxy-N-methyl-nicotinamide (2.08 g, 8.5 mmol) in THF (20 mL) was added MeMgBr (1.52 g, 12.75 mmol) at -78 °C. After the addition, the reaction mixture was stirred at room temperature for 2 hours before quenching with water. After extraction with EtOAC, the organic layer was washed with brine, dried over anhydrous NaIn the reaction flask, 14 g of N-amino-2-(1H-1, 2, 3-triazol-4-yl)propan-2-amine and 20 g of

Computed Properties

Molecular Weight:200.03
XLogP3:1.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:198.96328
Monoisotopic Mass:198.96328
Topological Polar Surface Area:30
Heavy Atom Count:10
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 38940-62-4

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CAS No.: 38940-62-4

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Content: 98%

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