2-Chloro-4-phenylpyrimidine-5-carbonyl chloride

Base Information

Chemical Name:2-Chloro-4-phenylpyrimidine-5-carbonyl chloride
CAS No.:188781-14-8
Molecular Formula:C11H6Cl2N2O
Molecular Weight:253.087
Hs Code.:
DSSTox Substance ID:DTXSID101241705
Mol file:188781-14-8.mol

Synonyms:2-Chloro-4-phenylpyrimidine-5-carbonyl chloride;188781-14-8;5-Pyrimidinecarbonyl chloride, 2-chloro-4-phenyl-;SCHEMBL8543261;DTXSID101241705;2-Chloro-4-phenylpyrimidine-5-carbonylchloride;2-Chloro-4-phenyl-5-pyrimidinecarbonyl chloride

Suppliers and Price of 2-Chloro-4-phenylpyrimidine-5-carbonyl chloride

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2-CHLORO-4-PHENYLPYRIMIDINE-5-CARBONYL CHLORIDE 95.00%
5MG
$ 498.33

Total 1 raw suppliers

Chemical Property of 2-Chloro-4-phenylpyrimidine-5-carbonyl chloride

Chemical Property:

PSA：42.85000
LogP:3.17600
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:251.9857182
Heavy Atom Count:16
Complexity:256

Purity/Quality:: 2-CHLORO-4-PHENYLPYRIMIDINE-5-CARBONYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=NC(=NC=C2C(=O)Cl)Cl

Technology Process of 2-Chloro-4-phenylpyrimidine-5-carbonyl chloride

There total 5 articles about 2-Chloro-4-phenylpyrimidine-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: 71.0%

: 188781-11-5
2-chloro-4-phenylpyrimidine-5-carboxylic acid

: 188781-14-8
2-chloro-4-phenylpyrimidine-5-carbonyl chloride

Guidance literature:: With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 4h;
DOI:10.1021/jm0001626

Reference yield:

: 94-02-0
ethyl 3-oxo-3-phenylpropionate

: 188781-14-8
2-chloro-4-phenylpyrimidine-5-carbonyl chloride

Guidance literature:: Multi-step reaction with 5 steps

1: 55 percent / Heating

2: 65 percent / NaOEt / ethanol / 20 °C

3: 72 percent / POCl₃ / 1 h / Heating

4: 53 percent / aq. NaOH / tetrahydrofuran / 2 h / 20 °C

5: 71 percent / (COCl)2; DMF / CH₂Cl₂ / 4 h / 20 °C

With sodium hydroxide; oxalyl dichloride; sodium ethanolate; N,N-dimethyl-formamide; trichlorophosphate; In tetrahydrofuran; ethanol; dichloromethane; 1: Condensation / 2: Cyclization / 3: Chlorination / 4: Hydrolysis / 5: Chlorination;
DOI:10.1021/jm0001626

Reference yield:

: 113271-89-9
ETHYL 2-CHLORO-4-PHENYLPYRIMIDINE-5-CARBOXYLATE

: 188781-14-8
2-chloro-4-phenylpyrimidine-5-carbonyl chloride

Guidance literature:: Multi-step reaction with 2 steps

1: 53 percent / aq. NaOH / tetrahydrofuran / 2 h / 20 °C

2: 71 percent / (COCl)2; DMF / CH₂Cl₂ / 4 h / 20 °C

With sodium hydroxide; oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane; 1: Hydrolysis / 2: Chlorination;
DOI:10.1021/jm0001626