5-(Chloromethyl)-2-methylpyrimidine

Base Information

• Chemical Name: 5-(Chloromethyl)-2-methylpyrimidine
• CAS No.: 126504-86-7
• Molecular Formula: C6H7ClN2
• Molecular Weight: 142.588
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID10562987
• Wikidata: Q72454298
• Mol file: 126504-86-7.mol

Synonyms:5-(CHLOROMETHYL)-2-METHYLPYRIMIDINE;126504-86-7;Pyrimidine,5-(chloromethyl)-2-methyl-;5-chloromethyl-2-methylpyrimidine;Pyrimidine, 5-(chloromethyl)-2-methyl- (9CI);SCHEMBL740241;DTXSID10562987;GHFAUTJRYNSYHR-UHFFFAOYSA-N;AMY10982;MFCD09879705;AKOS010207676;PB22329;AC-22801;CS-0054738;Pyrimidine,5-(chloromethyl)-2-methyl-(9ci);EN300-51281;A26251;P10827

Chemical Property of 5-(Chloromethyl)-2-methylpyrimidine

Chemical Property:

• Vapor Pressure: 0.234mmHg at 25°C
• Refractive Index: 1.53
• Boiling Point: 213.8 °C at 760 mmHg
• PKA: 1.30±0.22(Predicted)
• Flash Point: 103.3 °C
• PSA: 25.78000
• Density: 1.189 g/cm³
• 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: 79.1

Purity/Quality:

97% ^*data from raw suppliers

5-(Chloromethyl)-2-methylpyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(C=N1)CCl

Technology Process of 5-(Chloromethyl)-2-methylpyrimidine

There total 4 articles about 5-(Chloromethyl)-2-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: 35.0%

2,5-dimethylpyrimidine (22868-76-4,144384-91-8) → 2-(Chloromethyl)-5-methylpyrimidine (126504-85-6) + 5-(Chloromethyl)-2-methylpyrimidine (126504-86-7) + 2,5-Bis(chloromethyl)pyrimidine (126504-87-8)

Guidance literature:

With N-chloro-succinimide; dibenzoyl peroxide; In tetrachloromethane; for 24h; Heating; 2 equivalents NCS;

Reference yield:

5-(Hydroxymethyl)-2-methylpyrimidine (2239-83-0) → 5-(Chloromethyl)-2-methylpyrimidine (126504-86-7)

Guidance literature:

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

Reference yield:

2-methylpyrimidine-5-carboxylic acid (5194-32-1) → 5-(Chloromethyl)-2-methylpyrimidine (126504-86-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tetrahydroborate; ethanol / 3 h / 20 °C

2: thionyl chloride / 1 h / 20 °C

With sodium tetrahydroborate; thionyl chloride; ethanol;

upstream raw materials:

2,5-dimethylpyrimidine

2-methylpyrimidine-5-carboxylic acid

5-(Hydroxymethyl)-2-methylpyrimidine

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