2-Chloro-4'-nitrobenzophenone

Base Information

• Chemical Name: 2-Chloro-4'-nitrobenzophenone
• CAS No.: 77778-73-5
• Molecular Formula: C13H8ClNO3
• Molecular Weight: 261.66100
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID90356609
• Wikidata: Q82136062
• Mol file: 77778-73-5.mol

Synonyms:2-CHLORO-4'-NITROBENZOPHENONE;77778-73-5;(2-chlorophenyl)-(4-nitrophenyl)methanone;MFCD02260377;SCHEMBL10903201;DTXSID90356609;CDA77873;AKOS016018313

Chemical Property of 2-Chloro-4'-nitrobenzophenone

Chemical Property:

• Vapor Pressure: 2.26E-07mmHg at 25°C
• Boiling Point: 423.3oC at 760 mmHg
• Flash Point: 209.8oC
• PSA: 62.89000
• Density: 1.367g/cm3
• LogP: 4.00240
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 261.0192708
• Heavy Atom Count: 18
• Complexity: 321

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-4'-nitrobenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl

Technology Process of 2-Chloro-4'-nitrobenzophenone

There total 8 articles about 2-Chloro-4'-nitrobenzophenone 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: 92.0%

p-nitrobenzene iodide (636-98-6) + carbon monoxide (201230-82-2) + 2-Chlorobenzeneboronic acid (3900-89-8) → (2-chlorophenyl)(4-nitrophenyl)methanone (77778-73-5)

Guidance literature:

With potassium phosphate; palladium diacetate; at 20 ℃; for 4h;

DOI:10.1021/jo402366p

Reference yield: 63.0%

methyl (2-chlorophenyl)acetate (57486-68-7) + nitrobenzene (98-95-3,26969-40-4) → (2-chlorophenyl)(4-nitrophenyl)methanone (77778-73-5)

Guidance literature:

With sodium t-butanolate; In dimethyl sulfoxide; at 45 ℃; for 3h; regioselective reaction;

DOI:10.1039/c7ob02865b

Reference yield: 63.0%

→ (2-chlorophenyl)(4-nitrophenyl)methanone (77778-73-5)

Guidance literature:

With sodium t-butanolate; In dimethyl sulfoxide; at 45 ℃; for 8h;

upstream raw materials:

4-nitro-benzoyl chloride

chlorobenzene

2-Chlorophenylacetonitrile

4-chlorobenzonitrile

Refernces

• 1、 -. "Diarylketone preparation method". Paragraph 0019; 0027. . Retrieved 2017/09/05.
• 2、 Zhou, Qing,Wei, Shaohua,Han, Wei. "In situ generation of palladium nanoparticles: Ligand-free palladium catalyzed pivalic acid assisted carbonylative Suzuki reactions at ambient conditions". . p. 1454 - 1460. Retrieved 2014/03/21.