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5-Bromo-2-methoxy-6-picoline

5-Bromo-2-methoxy-6-picoline structure

CAS No:
126717-59-7
Formula:
C7H8BrNO
Chemical Name:
5-Bromo-2-methoxy-6-picoline
Synonyms:
3-BROMO-6-METHOXY-2-METHYLPYRIDINE;3-BROMO-6-METHOXY-2-PICOLINE;2-METHOXY-5-BROMO-6-PICOLINE;2-METHYL-3-BROMO-6-METHOXY PYRIDINE;5-Bromo-2-Methoxy-6-Methylpyridine;5-Bromo-2-methoxy-6-picoline;5-Bromo-2-methoxy-6-methylpyridine, 3-Bromo-6-methoxy-2-picoline;3-Bromo-6-methoxypicoline
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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5-Bromo-2-methoxy-6-picoline Basic Attributes

Molecular Weight：

202.05

Exact Mass：

200.978912

DSSTox ID：

DTXSID40445017

HScode：

2933399090

Characteristics

PSA：

22.1

XLogP3：

2.2

Appearance：

Colorless Liquid

Density：

1.468g/mLat 25℃

Boiling Point：

86°C/10mmHg(lit.)

Flash Point：

106°C

Refractive Index：

n20/D 1.548

Storage Conditions：

2-8°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

41-22

safety instructions：

26-39

Marks：

Xi,Xn

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H302-H318

GHS Classification：

|Danger|H302 (95.24%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501|Aggregated GHS information provided by 42 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Bromo-2-methoxy-6-picoline Use and Manufacturing

Step B. Example 3 3-(2, 5-Dimethyl-6-oxo-1 6-dihydropyridin-3-(at)l)benzonitrile Step 1: 3-Bromo-6-methoxy-2-methylpyridine: A mixture of 5-bromo-6-methyl-1H-pyridin- 2-one (5.5 g, 29 mmol), silver carbonate (10.89 g, 39 mmol), iodomethane (13.6 mL, 217 mmol) and chloroform (115 mL) is stirred overnight in the dark at room temperature. Triethylamine (10 mL) is added and stirring continued for 1.5 hr. The reaction mixture is filtered through a pad of Hi-Flo and the filtrate is washed with water (100 mL), dried, filtered and concentrated. The residue is purified by filtration through a pad of silica gel washing with cyclohexane-20percent ethyl acetate. The solvent is concentrated to afford 3-bromo-6-methoxy-2- methylpyridine (3.7 g, 63percent yield) as an oil. LC/MS RT 3.76 min; MS m/e = 202/204 (M); NMR (CDCl3) 7.6 (1H, d), 6.43 (lH, d), 3.89 (3H, s), 2.57 (3H, s).A solution of 2, 5-dibromo-6-picoline (30.6 kg, 122 mol, 1.00 eq) intoluene (154.2 kg) was dried by vacuum distillation at 40 °C 775 mmHg to remove 105.7 kg of distillate to produce a solution containing 40 ppm water. This was mixed with 25 weight percent sodium methoxide in methanol (124.1 kg, 574 mol, 4.71 eq) and the mixture was heated at 65-75 °C for 6 hours until reaction completion, (HPLC analysis indicated 1.6 area percent starting material remained). The mixture was cooled to 5 °C and water (98 L) was charged to the mixture followed by t-butylmethylether (97 kg). The layers were separated and the organic phase washed twice with 5percent brine (139 kg) and once with 20percent brine (165 kg). The organic phase was clarified by filtration and 51 kg was removed by vacuum distillation at 40 °C to produce a 2-methoxy-5-bromo-6-picoline solution (58.4 kg) of 40.6 wt percent purity (96percent yield). Part of this was purified by distillation for the purposes of recording the

Computed Properties

Molecular Weight:202.05
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:200.97893
Monoisotopic Mass:200.97893
Topological Polar Surface Area:22.1
Heavy Atom Count:10
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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5-Bromo-2-methoxy-6-picoline 99% colorless liquid JINGHUI

CAS No.: 126717-59-7

Content: 99%

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Shaanxi Dideu Medichem Co. Ltd Contact Supplier

CN
4 YRS

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5-Bromo-2-methoxy-6-picoline 99%

CAS No.: 126717-59-7

Content: 99%

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Guide of 5-Bromo-2-methoxy-6-picoline

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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5-Bromo-2-methoxy-6-picoline

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