6-Chloropyrimidine-4-carbonyl chloride

Base Information

• Chemical Name: 6-Chloropyrimidine-4-carbonyl chloride
• CAS No.: 263270-52-6
• Molecular Formula: C5H2 Cl2 N2 O
• Molecular Weight: 176.99
• DSSTox Substance ID: DTXSID50593614
• Wikidata: Q82488124
• Mol file: 263270-52-6.mol

Synonyms:6-chloropyrimidine-4-carbonyl chloride;263270-52-6;4-PYRIMIDINECARBONYL CHLORIDE, 6-CHLORO-;4-Pyrimidinecarbonyl chloride, 6-chloro- (9CI);MFCD12547222;6-Chloropyrimidine-4-carbonylchloride;6-chloropyrimidine-4-carboxylic acid chloride;SCHEMBL550087;DTXSID50593614;FAJZIXITZFFSPC-UHFFFAOYSA-N;6-chloropyrimidine-4carbonyl chloride;6-chloro-4-pyrimidinecarbonyl chloride;AKOS025142357;NS-01489;DB-013094;6-chloropyrimidin-4-carboxylic acid chloride;4-Pyrimidinecarbonyl chloride,6-chloro-(9ci);6-chloro-pyrimidin-4-carboxylic acid chloride;6-chloro-pyrimidine-4-carboxylic acid chloride;F18835

Chemical Property of 6-Chloropyrimidine-4-carbonyl chloride

Chemical Property:

• Boiling Point: 261.9±20.0 °C(Predicted)
• PKA: -4.89±0.18(Predicted)
• PSA: 42.85000
• Density: 1.549±0.06 g/cm3(Predicted)
• LogP: 1.50900
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 175.9544181
• Heavy Atom Count: 10
• Complexity: 142

Purity/Quality:

97% ^*data from raw suppliers

6-chloropyrimidine-4-carbonylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=CN=C1Cl)C(=O)Cl

Technology Process of 6-Chloropyrimidine-4-carbonyl chloride

There total 4 articles about 6-Chloropyrimidine-4-carbonyl chloride 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: 93.0%

6-hydroxypyrimidine-4-carboxylic acid (6299-87-2) → 6-chloropyrimidine-4-carbonyl chloride (263270-52-6)

Guidance literature:

6-hydroxypyrimidine-4-carboxylic acid; With phosphorus(V) chloride; trichlorophosphate; for 16h; Inert atmosphere; Reflux;

With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 0 - 20 ℃;

DOI:10.1016/j.bmcl.2010.01.102

Reference yield:

6-chloropyrimidine-4-carboxylic acid (37131-91-2) → 6-chloropyrimidine-4-carbonyl chloride (263270-52-6)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In chloroform; at 50 - 70 ℃; for 6h;

DOI:10.1016/j.bioorg.2021.105417

Reference yield:

6-hydroxypyrimidine-4-carboxylic acid (6299-87-2) → 6-chloropyrimidine-4-carbonyl chloride (263270-52-6) + 6-chloropyrimidine-4-carboxylic acid (37131-91-2)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate;

upstream raw materials:

6-hydroxypyrimidine-4-carboxylic acid

6-chloropyrimidine-4-carboxylic acid

Downstream raw materials:

6-chloro-N-(2-methylphenyl)pyrimidine-4-carboxamide

6-chloro-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide

tert-butyl (4-{[(6-chloropyrimidin-4-yl)carbonyl]amino}benzyl)carbamate

6-chloro-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide

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