3-(Chloromethyl)-2-methoxypyridine

Base Information

• Chemical Name: 3-(Chloromethyl)-2-methoxypyridine
• CAS No.: 162046-62-0
• Molecular Formula: C7H8ClNO
• Molecular Weight: 157.6
• Hs Code.: 2933399090
• European Community (EC) Number: 824-824-2
• DSSTox Substance ID: DTXSID80565662
• Wikidata: Q82450878
• Mol file: 162046-62-0.mol

Synonyms:3-(chloromethyl)-2-methoxypyridine;162046-62-0;Pyridine, 3-(chloromethyl)-2-methoxy-;MFCD09880284;2-METHOXY-3-CHLOROMETHYL PYRIDINE;2-Methoxynicotinyl chloride;SCHEMBL2960548;3-chloromethyl-2-methoxypyridine;DTXSID80565662;3-chloromethyl-2-methoxy-pyridine;BWCOLJNFJZDWEF-UHFFFAOYSA-N;2-methoxy-3-(chloromethyl)pyridine;(2-methoxy-3-pyridyl)methyl chloride;AKOS005073128;AB54482;KD-0217;AM803283;SY123509;CS-0036163;EN300-105113;A883018;J-510835

Chemical Property of 3-(Chloromethyl)-2-methoxypyridine

Chemical Property:

• Vapor Pressure: 0.156mmHg at 25°C
• Melting Point: Oil°
• Boiling Point: 221.85oC at 760 mmHg
• PKA: 2.62±0.10(Predicted)
• Flash Point: 87.972oC
• PSA: 22.12000
• Density: 1.173g/cm3
• LogP: 1.82900
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 157.0294416
• Heavy Atom Count: 10
• Complexity: 99.6

Purity/Quality:

99%, ^*data from raw suppliers

3-(Chloromethyl)-2-methoxypyridine >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC=N1)CCl

Technology Process of 3-(Chloromethyl)-2-methoxypyridine

There total 4 articles about 3-(Chloromethyl)-2-methoxypyridine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

(2-methoxy-pyridin-3-yl)-methanol (112197-16-7) → 2-methoxy-pyridin-3-ylmethyl chloride (162046-62-0)

Guidance literature:

With thionyl chloride; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1016/j.ejmech.2016.02.023

Reference yield:

2-methoxynicotinic acid methyl ester (67367-26-4) → 2-methoxy-pyridin-3-ylmethyl chloride (162046-62-0)

Guidance literature:

Multi-step reaction with 2 steps

1: DIBAL-H / tetrahydrofuran; hexane / 1 h / 0 °C

2: SOCl₂ / CH₂Cl₂ / 3 h

With thionyl chloride; diisobutylaluminium hydride; In tetrahydrofuran; hexane; dichloromethane;

DOI:10.1021/jm9903848

Reference yield:

2-methoxynicotinic acid (16498-81-0) → 2-methoxy-pyridin-3-ylmethyl chloride (162046-62-0)

Guidance literature:

Multi-step reaction with 3 steps

1: CHCl₃; methanol

2: DIBAL-H / tetrahydrofuran; hexane / 1 h / 0 °C

3: SOCl₂ / CH₂Cl₂ / 3 h

With thionyl chloride; diisobutylaluminium hydride; In tetrahydrofuran; methanol; hexane; dichloromethane; chloroform;

DOI:10.1021/jm9903848

upstream raw materials:

(2-methoxy-pyridin-3-yl)-methanol

2-methoxynicotinic acid methyl ester

2-methoxynicotinic acid

2-methoxynicotinaldehyde

Downstream raw materials:

N-(2-methoxy-pyridin-3-ylmethyl)-N-(4-p-tolyloxy-phenyl)-methane-sulfonamide

(2-methoxypyridin-3-yl)acetonitrile

2-(2-methoxy-3-pyridyl)acetic acid

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