4-(4-Chloro-2-(2-chlorobenzoyl)phenyl)pyrimidine-5-carbonitrile

Base Information

Chemical Name:4-(4-Chloro-2-(2-chlorobenzoyl)phenyl)pyrimidine-5-carbonitrile
CAS No.:87999-64-2
Molecular Formula:C18H9Cl2N3O
Molecular Weight:354.195
Hs Code.:
DSSTox Substance ID:DTXSID10520128
Wikidata:Q82383809

Synonyms:87999-64-2;4-(4-Chloro-2-(2-chlorobenzoyl)phenyl)pyrimidine-5-carbonitrile;4-[4-Chloro-2-(2-chlorobenzoyl)phenyl]pyrimidine-5-carbonitrile;DTXSID10520128

Suppliers and Price of 4-(4-Chloro-2-(2-chlorobenzoyl)phenyl)pyrimidine-5-carbonitrile

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

Total 0 raw suppliers

Chemical Property of 4-(4-Chloro-2-(2-chlorobenzoyl)phenyl)pyrimidine-5-carbonitrile

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:353.0122673
Heavy Atom Count:24
Complexity:506

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)C3=NC=NC=C3C#N)Cl

Technology Process of 4-(4-Chloro-2-(2-chlorobenzoyl)phenyl)pyrimidine-5-carbonitrile

There total 2 articles about 4-(4-Chloro-2-(2-chlorobenzoyl)phenyl)pyrimidine-5-carbonitrile 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: 8.5%

: 16357-68-9
4-chloro-pyrimidine-5-carbonitrile

: 76049-50-8
2',5-dichloro-2-iodobenzophenone

: 87999-64-2
2',5-Dichloro-2-(5-cyano-4-pyrimidinyl)benzophenone

Guidance literature:: With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; In N,N-dimethyl-formamide; at 40 ℃; for 24h;
DOI:10.1021/jo00176a015

Reference yield:

: 2958-36-3,53960-29-5
(2-amino-5-chloro-phenyl)-(2-chloro-phenyl)-methanone

: 87999-64-2
2',5-Dichloro-2-(5-cyano-4-pyrimidinyl)benzophenone

Guidance literature:: Multi-step reaction with 2 steps

1: 1) NaNO₂/HCl/aq. CH₃COOH, 2) aq. KI

2: 8.5 percent / Ni(COD)2 / dimethylformamide / 24 h / 40 °C

With hydrogenchloride; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; acetic acid; potassium iodide; sodium nitrite; In N,N-dimethyl-formamide;
DOI:10.1021/jo00176a015