2-Methyl-5-nitrobenzophenone

Base Information

• Chemical Name: 2-Methyl-5-nitrobenzophenone
• CAS No.: 39272-00-9
• Molecular Formula: C14H11NO3
• Molecular Weight: 241.246
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID70399357
• Wikidata: Q82201851
• Mol file: 39272-00-9.mol

Synonyms:2-METHYL-5-NITROBENZOPHENONE;39272-00-9;(2-Methyl-5-nitrophenyl)(phenyl)methanone;(2-methyl-5-nitrophenyl)-phenylmethanone;(2-methyl-5-nitro-phenyl)-phenyl-methanone;SCHEMBL2441231;DTXSID70399357;AKOS024262125;FT-0672004

Chemical Property of 2-Methyl-5-nitrobenzophenone

Chemical Property:

• Melting Point: 72-73°C
• Boiling Point: 376.7±30.0 °C(Predicted)
• PSA: 62.89000
• Density: 1.232±0.06 g/cm3(Predicted)
• LogP: 3.65740
• Solubility.: Chloroform, Ether, Ethyl Acetate
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 241.07389321
• Heavy Atom Count: 18
• Complexity: 318

Purity/Quality:

98%Min ^*data from raw suppliers

2-Methyl-5-nitrobenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2
• Uses: 2-Methyl-5-nitrobenzophenone (cas# 39272-00-9) is a compound useful in organic synthesis.

Technology Process of 2-Methyl-5-nitrobenzophenone

There total 3 articles about 2-Methyl-5-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:

2-methyl-5-nitrobenzoyl chloride (64688-68-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → (2-methyl-5-nitrophenyl)phenylmethanone (39272-00-9)

Guidance literature:

With aluminium trichloride; at 30 - 40 ℃;

DOI:10.1002/hlca.193902201107

Reference yield:

ortho-methylbenzoic acid (118-90-1) → (2-methyl-5-nitrophenyl)phenylmethanone (39272-00-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 51 percent / KNO₃; H₂SO₄ / 0 °C

2: SOCl₂ / 2 h / 80 °C

3: 1.8 g / AlCl₃ / 20 °C

With aluminium trichloride; thionyl chloride; sulfuric acid; potassium nitrate;

DOI:10.1021/jm0702938

Reference yield:

5-nitro-o-toluic acid (1975-52-6) → (2-methyl-5-nitrophenyl)phenylmethanone (39272-00-9)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / 2 h / 80 °C

2: 1.8 g / AlCl₃ / 20 °C

With aluminium trichloride; thionyl chloride;

DOI:10.1021/jm0702938

upstream raw materials:

2-methyl-5-nitrobenzoyl chloride

benzene

ortho-methylbenzoic acid

5-nitro-o-toluic acid

Downstream raw materials:

2-benzoyl-4-nitro-benzoic acid

2-(4-dimethylamino-trans-styryl)-5-nitro-benzophenone

N-(3-Dimethylaminopropyl)-2-methyl-5-nitro-diphenylketoimin

(5-amino-2-methylphenyl)phenylmethanone