(4-Chloro-3-nitrophenyl)(p-tolyl)methanone

Base Information

• Chemical Name: (4-Chloro-3-nitrophenyl)(p-tolyl)methanone
• CAS No.: 40306-24-9
• Molecular Formula: C14H10 Cl N O3
• Molecular Weight: 275.69
• DSSTox Substance ID: DTXSID90356967
• Wikidata: Q82136622
• Mol file: 40306-24-9.mol

Synonyms:40306-24-9;(4-Chloro-3-nitrophenyl)(p-tolyl)methanone;4-Chloro-4'-methyl-3-nitrobenzophenone;(4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone;(4-CHLORO-3-NITROPHENYL)(4-METHYLPHENYL)METHANONE;{4-chloro-3-nitrophenyl}(4-methylphenyl)methanone;Oprea1_555518;4-CHLORO-4'-METHYL-3-NITRO BENZOPHENONE&;Methanone, (4-chloro-3-nitrophenyl)(4-methylphenyl)-;DTXSID90356967;AKOS015889266;AKOS016011229;4-Chloro-4'-methyl-3-nitrobenzophenone, 97%;4-CHLORO-4-METHYL-3-NITROBENZOPHENONE&;AN-829/40524969

Chemical Property of (4-Chloro-3-nitrophenyl)(p-tolyl)methanone

Chemical Property:

• Vapor Pressure: 5.6E-08mmHg at 25°C
• Melting Point: 117-121 °C(lit.)
• Refractive Index: 1.613
• Boiling Point: 441.1°C at 760 mmHg
• Flash Point: 220.6°C
• PSA: 62.89000
• Density: 1.327g/cm³
• LogP: 4.31080
• Storage Temp.: 2-8°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 275.0349209
• Heavy Atom Count: 19
• Complexity: 347

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Chloro-4''-methyl-3-nitrobenzophenone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
• Uses: 4-Chloro-4'-methyl-3-nitrobenzophenone is a benzophenone derivative used in the preparation of nitrogen-containing heterocycles. 4-Chloro-4''-methyl-3-nitrobenzophenone is a benzophenone derivative used in the preparation of nitrogen-containing heterocycles.

Technology Process of (4-Chloro-3-nitrophenyl)(p-tolyl)methanone

There total 1 articles about (4-Chloro-3-nitrophenyl)(p-tolyl)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:

toluene (108-88-3,15644-74-3,16713-13-6) + 4-chloro-3-nitro-benzoyl chloride (38818-50-7) → 4-chloro-4'-methyl-3-nitro-benzophenone (40306-24-9)

Guidance literature:

With aluminium trichloride;

Reference yield: 98.0%

4-chloro-4'-methyl-3-nitro-benzophenone (40306-24-9) + diethyl malonate (105-53-3) → 2-[4-(4-Methyl-benzoyl)-2-nitro-phenyl]-malonic acid diethyl ester (215959-22-1)

Guidance literature:

With sodium hydride; In dimethyl sulfoxide; at 100 ℃;

DOI:10.1016/S0040-4039(98)01719-5

Reference yield:

4-chloro-4'-methyl-3-nitro-benzophenone (40306-24-9) → 6-(4-Methyl-benzoyl)-1,3-dihydro-indol-2-one (215959-26-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / NaH / dimethylsulfoxide / 100 °C

2: 60 percent / Sn, HCl / ethanol / Heating

With hydrogenchloride; tin; sodium hydride; In ethanol; dimethyl sulfoxide;

DOI:10.1016/S0040-4039(98)01719-5

upstream raw materials:

toluene

4-chloro-3-nitro-benzoyl chloride

Downstream raw materials:

3-amino-4-chloro-4'-methyl-benzophenone

4-chloro-4'-methyl-3,3'-dinitro-benzophenone

2-[4-(4-Methyl-benzoyl)-2-nitro-phenyl]-malonic acid diethyl ester

6-(4-Methyl-benzoyl)-1,3-dihydro-indol-2-one

Refernces