4-(Chloromethyl)-2-phenylpyridine

Base Information

• Chemical Name: 4-(Chloromethyl)-2-phenylpyridine
• CAS No.: 147937-35-7
• Molecular Formula: C12H10ClN
• Molecular Weight: 203.66700
• DSSTox Substance ID: DTXSID30583119
• Wikidata: Q82474637
• Mol file: 147937-35-7.mol

Synonyms:4-(CHLOROMETHYL)-2-PHENYLPYRIDINE;147937-35-7;4-chloromethyl-2-phenylpyridine;SCHEMBL4116786;DTXSID30583119;MCHCNCPHRVLQOU-UHFFFAOYSA-N;AB59905

Chemical Property of 4-(Chloromethyl)-2-phenylpyridine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 335.313oC at 760 mmHg
• Flash Point: 186.914oC
• PSA: 12.89000
• Density: 1.16g/cm3
• LogP: 3.48740
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 203.0501770
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

98%min ^*data from raw suppliers

4-(chloromethyl)-2-phenylpyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC=CC(=C2)CCl

Technology Process of 4-(Chloromethyl)-2-phenylpyridine

There total 3 articles about 4-(Chloromethyl)-2-phenylpyridine 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: 71.0%

4-(hydroxymethyl)-2-phenylpyridine (4634-12-2) → 4-chloromethyl-2-phenylpyridine (147937-35-7)

Guidance literature:

With thionyl chloride; In benzene; for 0.166667h; Heating;

DOI:10.1016/j.ejmech.2006.11.013

Reference yield:

ethyl 2-phenylpyridine-4-carboxylate (92199-59-2) → 4-chloromethyl-2-phenylpyridine (147937-35-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / DIBAL-H / 20 °C

2: 71 percent / thionyl chloride / benzene / 0.17 h / Heating

With thionyl chloride; diisobutylaluminium hydride; In benzene;

DOI:10.1016/j.ejmech.2006.11.013

Reference yield:

→ 4-chloromethyl-2-phenylpyridine (147937-35-7)

Guidance literature:

(2-Phenyl-pyrid-4-yl)-methanol, SOCl2;

upstream raw materials:

4-(hydroxymethyl)-2-phenylpyridine

ethyl 2-phenylpyridine-4-carboxylate