2-(Chloromethyl)-3,4-dimethoxypyridine

Base Information

• Chemical Name: 2-(Chloromethyl)-3,4-dimethoxypyridine
• CAS No.: 169905-10-6
• Molecular Formula: C8H10ClNO2
• Molecular Weight: 187.626
• European Community (EC) Number: 605-565-2
• DSSTox Substance ID: DTXSID401283942
• Nikkaji Number: J2.525.438D
• Mol file: 169905-10-6.mol

Synonyms:2-chloromethyl-3,4-dimethoxypyridine

Chemical Property of 2-(Chloromethyl)-3,4-dimethoxypyridine

Chemical Property:

• Vapor Pressure: 0.0229mmHg at 25°C
• Melting Point: 155 °C (dec.)(lit.)
• Refractive Index: 1.511
• Boiling Point: 257.8 °C at 760 mmHg
• PKA: 4.45±0.10(Predicted)
• Flash Point: 109.7 °C
• PSA: 121.70000
• Density: 1.185 g/cm³
• LogP: 3.26110
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 187.0400063
• Heavy Atom Count: 12
• Complexity: 134

Purity/Quality:

97% ^*data from raw suppliers

2-Chloromethyl-3,4-dimethoxypyridine, Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R21/22-38-41-43-48/22-51/53:
• Hazard Codes: Xn,N
• Statements: 21/22-38-41-43-48/22-51/53
• Safety Statements: 26-36/37/39-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=NC=C1)CCl)OC

Technology Process of 2-(Chloromethyl)-3,4-dimethoxypyridine

There total 3 articles about 2-(Chloromethyl)-3,4-dimethoxypyridine 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: 88.0%

2-hydroxymethyl-3,4-dimethoxypyridine (72830-08-1) → 2-(chloromethyl)-3,4-dimethoxypyridine (169905-10-6)

Guidance literature:

With thionyl chloride; In dichloromethane;

Reference yield:

3,4-dimethoxy-2-methylpyridine N-oxide ? (72830-07-0) → 2-(chloromethyl)-3,4-dimethoxypyridine (169905-10-6)

Guidance literature:

3,4-dimethoxy-2-methylpyridine N-oxide ?; With p-toluenesulfonyl chloride; In dichloromethane; at 20 ℃; for 1h;

With triethylamine; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1081/SCC-120003612

Reference yield:

2-acetoxymethyl-3,4-dimethoxypyridine (102625-99-0) → 2-(chloromethyl)-3,4-dimethoxypyridine (169905-10-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 2N aq. NaOH / methanol / 2 h / 25 °C

2: SOCl₂ / CH₂Cl₂ / 2 h / 25 °C

With sodium hydroxide; thionyl chloride; In methanol; dichloromethane;

DOI:10.1021/jm00081a004

upstream raw materials:

2-hydroxymethyl-3,4-dimethoxypyridine

3,4-dimethoxy-2-methylpyridine N-oxide ?

2-acetoxymethyl-3,4-dimethoxypyridine

Downstream raw materials:

2-methylsulfanylbenzimidazole

2-[(3,4-dimethoxy-2-pyridyl)methylthio]-1H-benzimidazole

pantoprazole sulfide

C₄₈H₃₉N₇O₂S