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2-Acetyl-6-bromopyridine

2-Acetyl-6-bromopyridine structure

CAS No:
49669-13-8
Formula:
C7H6BrNO
Chemical Name:
2-Acetyl-6-bromopyridine
Synonyms:
2-ACETYL-6-BROMOPYRIDINE97;2-Acetyl-6-bromopyridine;2-Bromo-6-Acetylpyridine;1-(6-Bromopyridine;1-(6-Bromopyridin-2-yl)ethan-1-one;1-(6-Bromopyridin-2-yl)ethan-1-one, 2-Bromo-6-ethanoylpyridine;2- acetyl-6-pyridyl broMide;6-Bromopyridin-2-yl methyl ketone
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Solid

2-Acetyl-6-bromopyridine Basic Attributes

Molecular Weight：

200.03

Exact Mass：

198.963272

EC Number：

1312995-182-4

DSSTox ID：

DTXSID30461589

HScode：

2933399090

Characteristics

PSA：

XLogP3：

1.9

Density：

1.5±0.1 g/cm3

Melting Point：

51-55 °C(lit.)

Boiling Point：

271.2°C at 760 mmHg

Flash Point：

117.8±23.2 °C

Refractive Index：

1.558

Water Solubility：

soluble in methanol.

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Acetyl-6-bromopyridine Use and Manufacturing

2, 6-dibromopyridine (10.0 g, 42.2 mmol) was placed in a reaction flask. To ensure a nitrogen atmosphere in the reaction flask, the gas in the reaction flask was drawn out and the reaction flask was refilled with nitrogen gas in a rapid manner three times. To the reaction flask, 150 ml of anhydrous diethylether was added, and then 17.7 ml of an n-butyllithium solution (44.3 mmol, 2.5 M in n-hexane) was slowly added at −78° C. to obtain a mixture. In the meanwhile, the color of the mixture changed from transparent to yellowish-brown. The mixture in the reaction flask was kept at −78° C. and continuously stirred for 30 minutes. Then, N, N-dimethylacetamide (4.7 ml, 50.7 mmol) was slowly added to the mixture, and the mixture was kept at −78° C. for 3 hours for reaction. Thereafter, the temperature of the mixture was slowly raised to 20° C. At this moment, the color of the mixture in the reaction flask changed to cloudy gray. Deionized water was slowly added to the mixture to terminate the reaction in the reaction flask. The solvents in the mixture were drawn out of the reaction flask, and the residue in the reaction flask was washed several times with ethyl acetate and with a saturated sodium chloride solution to collect an organic layer, followed by dehydration of the organic layer using sodium sulfate (Na

Computed Properties

Molecular Weight:200.03
XLogP3:1.9
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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