2-(Chloromethyl)-4-methylpyrimidine

Base Information

• Chemical Name: 2-(Chloromethyl)-4-methylpyrimidine
• CAS No.: 78060-44-3
• Molecular Formula: C₆H₇ClN₂
• Molecular Weight: 142.588
• Hs Code.: 2933599090
• European Community (EC) Number: 861-690-4
• DSSTox Substance ID: DTXSID40512152
• Wikidata: Q82371269
• Mol file: 78060-44-3.mol

Synonyms:2-(Chloromethyl)-4-methylpyrimidine;78060-44-3;2-Chloromethyl-4-methylpyrimidine;SCHEMBL15264888;DTXSID40512152;KIXTVKIOVXMYGL-UHFFFAOYSA-N;MFCD10697342;AKOS006304840;PB25297;AS-50723;CS-0054730;Pyrimidine,2-(chloromethyl)-4-methyl-(9ci);EN300-116810;P10964;A865104;J-506296

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

Chemical Property:

• PSA: 25.78000
• LogP: 1.52380
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 142.0297759
• Heavy Atom Count: 9
• Complexity: 87.1

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=NC=C1)CCl

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

There total 3 articles about 2-(Chloromethyl)-4-methylpyrimidine 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:

(4-methylpyrimidin-2-yl)methanol (142650-13-3) → 2-(chloromethyl)-4-methylpyrimidine (78060-44-3)

Guidance literature:

With thionyl chloride; In dichloromethane; for 2h; Inert atmosphere; Reflux;

Reference yield:

methyl 4-methylpyrimidine-2-carboxylate (317334-58-0) → 2-(chloromethyl)-4-methylpyrimidine (78060-44-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tetrahydroborate; ethanol / 0 - 20 °C / Inert atmosphere

2: thionyl chloride / dichloromethane / 2 h / Inert atmosphere; Reflux

With sodium tetrahydroborate; thionyl chloride; ethanol; In dichloromethane;

Reference yield:

2-chloro-4-methylpyrimidine (13036-57-2) → 2-(chloromethyl)-4-methylpyrimidine (78060-44-3)

Guidance literature:

Multi-step reaction with 3 steps

1: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; triethylamine / acetonitrile / 20 - 100 °C / Inert atmosphere

2: sodium tetrahydroborate; ethanol / 0 - 20 °C / Inert atmosphere

3: thionyl chloride / dichloromethane / 2 h / Inert atmosphere; Reflux

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium tetrahydroborate; thionyl chloride; ethanol; triethylamine; In dichloromethane; acetonitrile;

upstream raw materials:

methyl 4-methylpyrimidine-2-carboxylate

2-chloro-4-methylpyrimidine

(4-methylpyrimidin-2-yl)methanol

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