3-(Chloromethyl)pyridine

Base Information

• Chemical Name: 3-(Chloromethyl)pyridine
• CAS No.: 3099-31-8
• Molecular Formula: C6H6 Cl N
• Molecular Weight: 127.573
• Hs Code.: 2933399090
• UNII: 8QM5JL9CFT
• DSSTox Substance ID: DTXSID7043825
• Nikkaji Number: J107.172F
• Wikidata: Q27270905
• ChEMBL ID: CHEMBL3303788
• Mol file: 3099-31-8.mol

Synonyms:3-(chloromethyl)pyridine;3-(chloromethyl)pyridine hydrochloride;3-ClMeP

Chemical Property of 3-(Chloromethyl)pyridine

Chemical Property:

• Vapor Pressure: 0.285mmHg at 25°C
• Melting Point: 137-143ºC
• Boiling Point: 210°Cat760mmHg
• PKA: 4.46±0.10(Predicted)
• Flash Point: 100.5°C
• PSA: 12.89000
• Density: 1.156g/cm³
• LogP: 1.82040
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 127.0188769
• Heavy Atom Count: 8
• Complexity: 65.5

Purity/Quality:

99%, ^*data from raw suppliers

3-(Chloromethyl)pyridine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)CCl

Technology Process of 3-(Chloromethyl)pyridine

There total 8 articles about 3-(Chloromethyl)pyridine 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: 100.0%

3-hydroxymethylpyridin (100-55-0) → nicotinyl chloride (3099-31-8)

Guidance literature:

With thionyl chloride; In dichloromethane; Reflux;

DOI:10.2147/IJN.S212045

Reference yield: 96.0%

3-chloromethylpyridinium chloride (6959-48-4) → nicotinyl chloride (3099-31-8)

Guidance literature:

With sodium hydrogencarbonate; In water;

Reference yield: 26.0%

3-Methylpyridine (108-99-6) → 2-chloromethylpyridine (4377-33-7) + nicotinyl chloride (3099-31-8)

Guidance literature:

With N-chloro-succinimide; Perbenzoic acid; In tetrachloromethane; for 24h; Heating;

DOI:10.1055/s-1984-30930

upstream raw materials:

3-hydroxymethylpyridin

3-pyridinemethanol hydrochloride

3-Methylpyridine

3-chloromethylpyridinium chloride

Downstream raw materials:

3-(ethoxymethyl)pyridine

methyl-bis-(3-[3]pyridyl-propyl)-amine

N-(pyridin-3-ylmethyl)aniline

3-Methylpyridine

Refernces

• 1、 Deluca, Emile E.,Xu, Zhen,Lam, Jasper,Wolf, Michael O.. "Improved Electrocatalytic CO2 Reduction with Palladium bis(NHC) Pincer Complexes Bearing Cationic Side Chains". supporting information. p. 1330 - 1343. Retrieved 2019/03/28.
• 2、 Zheng, Dagui,Mao, Liu-Liang,Zhu, Xian-Hong,Zhou, An-Xi. "NMP-mediated chlorination of aliphatic alcohols with aryl sulfonyl chloride for the synthesis of alkyl chlorides". supporting information. p. 2793 - 2800. Retrieved 2018/11/06.