2-Chloro-4-methylpyrimidine

Base Information

• Chemical Name: 2-Chloro-4-methylpyrimidine
• CAS No.: 13036-57-2
• Molecular Formula: C5H5ClN2
• Molecular Weight: 128.561
• Hs Code.: 29335990
• European Community (EC) Number: 678-759-8
• DSSTox Substance ID: DTXSID40469672
• Nikkaji Number: J270.676H
• Wikidata: Q72455017
• Mol file: 13036-57-2.mol

Synonyms:2-Chloro-4-methylpyrimidine;13036-57-2;2-chloro-4-methyl-pyrimidine;PYRIMIDINE, 2-CHLORO-4-METHYL-;MFCD00054434;4-methyl-2-chloropyrimidine;chloro-6 methylpyrimidine;2-chloro-4-methyl pyrimidine;4-methyl-2-chloro-pyrimidine;SCHEMBL108558;4-methyl-2-pyrimidinylchloride;DTXSID40469672;BHAKRVSCGILCEW-UHFFFAOYSA-N;CS-D1513;2-Chloro-4-methylpyrimidine, 97%;SC2231;AKOS000283811;AC-6943;FA-0251;PB14106;2-Chloro-4-methylpyrimidine, AldrichCPR;SY005393;AM20080213;C2631;FT-0600383;EN300-66622;W-201031;Z1065586248

Chemical Property of 2-Chloro-4-methylpyrimidine

Chemical Property:

• Appearance/Colour: pale yellow solid
• Vapor Pressure: 0.209mmHg at 25°C
• Melting Point: 35-36 °C
• Refractive Index: 1.53
• Boiling Point: 216.105 °C at 760 mmHg
• PKA: -0.93±0.20(Predicted)
• Flash Point: 104.942 °C
• PSA: 25.78000
• Density: 1.235 g/cm³
• LogP: 1.43840
• Storage Temp.: Keep Cold/Store under Nitrogen
• Sensitive.: Moisture Sensitive
• Solubility.: Chloroform
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.0141259
• Heavy Atom Count: 8
• Complexity: 76.8

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-4-methylpyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-41-37/38
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=NC=C1)Cl
• Uses: 2-Chloro-4-methylpyrimidine (cas# 13036-57-2) is a compound useful in organic synthesis.

Technology Process of 2-Chloro-4-methylpyrimidine

There total 25 articles about 2-Chloro-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: 90.0%

2,6-Dichloropyrimidine (3934-20-1) + methylmagnesium chloride (676-58-4) → 2-chloro-4-methylpyrimidine (13036-57-2)

Guidance literature:

With iron(III) chloride; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; at -60 - -55 ℃; Reagent/catalyst; Temperature; Solvent;

Reference yield: 84.0%

2-chloropyrimidine (1722-12-9,1195939-87-7) + methyllithium (917-54-4) → 2-chloro-4-methylpyrimidine (13036-57-2)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In tetrahydrofuran; diethyl ether; at -30 - 20 ℃; for 1.08333h; Product distribution; other chloropyrimidines, quinazolines, and organolithium reagents;

DOI:10.1021/jo00252a057

Reference yield: 74.4%

2,4-dichloro-6-methylpyrimidine (5424-21-5) → 2-chloro-4-methylpyrimidine (13036-57-2)

Guidance literature:

With ammonium hydroxide; zinc; for 2h; Reflux;

upstream raw materials:

2,4-dichloro-6-methylpyrimidine

2-hydroxy-4-methylpyrimidine hydrochloride

2-chloropyrimidine

methyllithium

Downstream raw materials:

2,4-dimethylpyrimidine

2-chloro-6-methyl-4-(2,4,6-trimethylphenyl)pyrimidine

2-chloro-4-(2-methoxy-phenyl)-6-methyl-pyrimidine

2-chloro-5-(4-methylpyrimidin-2-ylamino)phenol