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2-Bromo-6-methoxypyridine

2-Bromo-6-methoxypyridine structure

CAS No:
40473-07-2
Formula:
C6H6BrNO
Chemical Name:
2-Bromo-6-methoxypyridine
Synonyms:
Pyridine,2-bromo-6-methoxy-;2-Bromo-6-methoxypyridine;2-Methoxy-6-bromopyridine;6-Bromo-2-methoxypyridine;NSC 84173;2-Bromo-6-(methyloxy)pyridine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Light yellow liquid

2-Bromo-6-methoxypyridine Basic Attributes

Molecular Weight：

188.02

Exact Mass：

188.02

EC Number：

1312995-182-4

NSC Number：

84173

DSSTox ID：

DTXSID90292619

HScode：

29333990

Characteristics

PSA：

22.1

XLogP3：

Appearance：

Clear colorless to golden Liquid

Density：

1.53 g/mL at 25 °C(lit.)

Boiling Point：

87-91 °C @ Press: 15 Torr

Flash Point：

220 °F

Refractive Index：

n20/D 1.559(lit.)

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-20/21/22

safety instructions：

26-36

Marks：

Xi,T,Xn

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (97.78%): 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 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromo-6-methoxypyridine Use and Manufacturing

2-Bromo-6-methoxypyridine; In an argon atmosphere, sodium methoxide (1.82 g) was added to 2, 6-dibromopyridine (8.0 g) in toluene (120 mL), followed by stirring at 120°C for 13 hours. Subsequently, sodium methoxide (0.728 g) was added to the mixture, followed by stirring at 120°C for 6 hours. The mixture was cooled in air. The reaction mixture was partitioned between water and ethyl acetate. The organic layer was dried over sodium sulfate anhydrate, followed by filtration. The solvent was evaporated under reduced pressure. The residue was purified by silica gel column chromatography (hexane - ethyl acetate), to thereby give the title compound in an oily substance (5.64 g, 89percent).1H-NMR(400MHz, CDCl3)δ: 3.93(3H, s), 6.68(1H, d, J=8.0Hz), 7.05(1H, d, J=7.2Hz), 7.39-7.42(1H, m).Step A 2-bromo-6-methoxypyridine (3a)

Computed Properties

Molecular Weight:188.02
XLogP3:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:186.96328
Monoisotopic Mass:186.96328
Topological Polar Surface Area:22.1
Heavy Atom Count:9
Complexity:89.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Sodium methoxide

Sodium bicarbonate

Potassium carbonate

Methanol

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Guide of 2-Bromo-6-methoxypyridine

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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2-Bromo-6-methoxypyridine

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