2-chloropyrimidine-5-carbonyl Chloride

Base Information

• Chemical Name: 2-chloropyrimidine-5-carbonyl Chloride
• CAS No.: 110099-99-5
• Molecular Formula: C5H2 Cl2 N2 O
• Molecular Weight: 176.99
• Hs Code.: 2933599090
• European Community (EC) Number: 691-543-8
• DSSTox Substance ID: DTXSID40442682
• Wikidata: Q82260100
• Mol file: 110099-99-5.mol

Synonyms:2-chloropyrimidine-5-carbonyl Chloride;110099-99-5;2-CHLORO-5-PYRIMIDINECARBONYL CHLORIDE;2-chloropyrimidine-5-carbonylchloride;5-Pyrimidinecarbonyl chloride, 2-chloro- (9CI);SCHEMBL6987829;DTXSID40442682;JUYQWJULYXCBAV-UHFFFAOYSA-N;BBL103955;STL557765;AKOS006312663;5-pyrimidinecarbonyl chloride,2-chloro-;MS-20731;CS-0045590

Chemical Property of 2-chloropyrimidine-5-carbonyl Chloride

Chemical Property:

• Boiling Point: 315.7±15.0 °C(Predicted)
• PKA: -3.67±0.22(Predicted)
• PSA: 42.85000
• Density: 1.549±0.06 g/cm3(Predicted)
• LogP: 1.50900
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 175.9544181
• Heavy Atom Count: 10
• Complexity: 134

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloropyrimidine-5-carbonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=N1)Cl)C(=O)Cl

Technology Process of 2-chloropyrimidine-5-carbonyl Chloride

There total 7 articles about 2-chloropyrimidine-5-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: 99.0%

2-bromopyrimidine-5-carboxylic acid (374068-01-6) → 2-CHLOROPYRIMIDINE-5-CARBONYLCHLORIDE (110099-99-5)

Guidance literature:

With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 0 - 20 ℃; for 2h;

Reference yield: 69.0%

2-hydroxypyrimidine-5-carboxylic acid (38324-83-3) → 2-CHLOROPYRIMIDINE-5-CARBONYLCHLORIDE (110099-99-5)

Guidance literature:

With trichlorophosphate;

DOI:10.1021/jm0001626

Reference yield: 56.0%

2-oxo-1,2-dihydropyrimidine-5-carboxylic acid (38324-83-3) → 2-CHLOROPYRIMIDINE-5-CARBONYLCHLORIDE (110099-99-5)

Guidance literature:

With thionyl chloride; trichlorophosphate; for 2h; Heating;

upstream raw materials:

2-oxo-1,2-dihydropyrimidine-5-carboxylic acid

2-hydroxypyrimidine-5-carboxylic acid

ethyl 2-(methylthio)pyrimidine-5-carboxylate

ethyl 2-chloropyrimidine-5-carboxylate

Downstream raw materials:

1-(2-chloropyrimidin-5-yl)ethan-1-one

2-(2-chloropyrimidin-5-yl)propan-2-ol

(2-chloropyrimidin-5-yl)(phenyl)methanone

1-benzyl-5-pentanoyl-2(1H)-pyrimidinone