[5-Chloro-2-(5-methylpyrimidin-4-yl)phenyl](2-chlorophenyl)methanone

Base Information

• Chemical Name: [5-Chloro-2-(5-methylpyrimidin-4-yl)phenyl](2-chlorophenyl)methanone
• CAS No.: 87999-60-8
• Molecular Formula: C18H12Cl2N2O
• Molecular Weight: 343.212
• DSSTox Substance ID: DTXSID90520126
• Wikidata: Q82383806
• Mol file: 87999-60-8.mol

Synonyms:87999-60-8;DTXSID90520126;[5-Chloro-2-(5-methylpyrimidin-4-yl)phenyl](2-chlorophenyl)methanone

Chemical Property of [5-Chloro-2-(5-methylpyrimidin-4-yl)phenyl](2-chlorophenyl)methanone

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 342.0326684
• Heavy Atom Count: 23
• Complexity: 420

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=CN=C1C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl

Technology Process of [5-Chloro-2-(5-methylpyrimidin-4-yl)phenyl](2-chlorophenyl)methanone

There total 1 articles about [5-Chloro-2-(5-methylpyrimidin-4-yl)phenyl](2-chlorophenyl)methanone 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: 27.8%

4-chloro-5-methyl-pyrimidine (51957-32-5) + 2',5-dichloro-2-iodobenzophenone (76049-50-8) → 2-chloro-9H-fluoren-9-one (3096-47-7) + 5,5'-Dimethyl-4,4'-bipyrimidinyl (87999-62-0) + 2',5-Dichloro-2-(5-methyl-4-pyrimidinyl)benzophenone (87999-60-8) + 2,2'-Bis(o-chlorobenzoyl)-4,4'-dichlorobiphenyl (87999-61-9)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; In N,N-dimethyl-formamide; at 40 ℃; for 48h;

DOI:10.1021/jo00176a015

Reference yield:

2',5-Dichloro-2-(5-methyl-4-pyrimidinyl)benzophenone (87999-60-8) → 2',5-Dichloro-2-<5-(bromomethyl)-4-pyrimidinyl>benzophenone (87999-63-1)

Guidance literature:

With N-Bromosuccinimide; Perbenzoic acid; In chlorobenzene; for 24h; Heating;

DOI:10.1021/jo00176a015

Reference yield:

2',5-Dichloro-2-(5-methyl-4-pyrimidinyl)benzophenone (87999-60-8) → 9-chloro-7-(2-chlorophenyl)-5H-pyrimido<5,4-d><2>benzazepine (76988-39-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent Turnov_. / N-bromosuccinimide, benzoyl peroxide / chlorobenzene / 24 h / Heating

2: 64.8 percent / conc. aq. NH₃ / methanol; ethyl acetate / 16 h / Ambient temperature

With ammonium hydroxide; N-Bromosuccinimide; Perbenzoic acid; In methanol; ethyl acetate; chlorobenzene;

DOI:10.1021/jo00176a015

upstream raw materials:

4-chloro-5-methyl-pyrimidine

2',5-dichloro-2-iodobenzophenone

Downstream raw materials:

2',5-Dichloro-2-<5-(bromomethyl)-4-pyrimidinyl>benzophenone

9-chloro-7-(2-chlorophenyl)-5H-pyrimido<5,4-d><2>benzazepine