2-(Chloromethyl)pyrimidine

Base Information

• Chemical Name: 2-(Chloromethyl)pyrimidine
• CAS No.: 54198-88-8
• Molecular Formula: C5H5ClN2
• Molecular Weight: 128.561
• Hs Code.: 2933599090
• European Community (EC) Number: 848-601-4
• DSSTox Substance ID: DTXSID80512151
• Wikidata: Q72454999
• Mol file: 54198-88-8.mol

Synonyms:2-(Chloromethyl)pyrimidine;

Chemical Property of 2-(Chloromethyl)pyrimidine

Chemical Property:

• Vapor Pressure: 1.844mmHg at 25°C
• Refractive Index: 1.534
• Boiling Point: 171.6 °Cat760mmHg
• PKA: 0.43±0.13(Predicted)
• Flash Point: 71.8 °C
• PSA: 25.78000
• Density: 1.241 g/cm³
• LogP: 1.21540
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.0141259
• Heavy Atom Count: 8
• Complexity: 61.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(Chloromethyl)pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(N=C1)CCl

Technology Process of 2-(Chloromethyl)pyrimidine

There total 3 articles about 2-(Chloromethyl)pyrimidine 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:

(5-bromopyrimidine-2-yl)methanol (22433-12-1) → 2-chloromethylpyrimidine (54198-88-8) + 2-pyrimidinemethanol (42839-09-8)

Guidance literature:

palladised charcoal; In ethanol; water;

Reference yield:

2-methylpyrimidine (5053-43-0) + trichloroisocyanuric acid (87-90-1) → 2-chloromethylpyrimidine (54198-88-8)

Guidance literature:

In chloroform;

Reference yield:

2-methylpyrimidine (5053-43-0) → 2-chloromethylpyrimidine (54198-88-8)

Guidance literature:

With trichloroisocyanuric acid; In chloroform; Heating;

DOI:10.1021/jm040883v

upstream raw materials:

2-methylpyrimidine

(5-bromopyrimidine-2-yl)methanol

trichloroisocyanuric acid

Downstream raw materials:

2-(pyrimidin-2-yl)acetonitrile

methyl 2-(pyrimidin-2-yl)acetate

Refernces

• 1、 -. "Substituted triazolo-pyridazine derivatives as ligands for GABA receptors". . . Retrieved 2008/06/13.