4-Amino-3-methylbenzophenone

Base Information

• Chemical Name: 4-Amino-3-methylbenzophenone
• CAS No.: 4934-55-8
• Molecular Formula: C14H13NO
• Molecular Weight: 211.263
• DSSTox Substance ID: DTXSID10197773
• Nikkaji Number: J80.926H
• Wikidata: Q83070543
• Mol file: 4934-55-8.mol

Synonyms:4-Amino-3-methylbenzophenone;4934-55-8;3-Methyl-4-aminobenzophenone;BENZOPHENONE, 4-AMINO-3-METHYL-;BRN 2100422;3-Metil-4-ammino-benzofenone [Italian];3-Metil-4-ammino-benzofenone;Methanone, (4-amino-3-methylphenyl)phenyl-;3-14-00-00245 (Beilstein Handbook Reference);SCHEMBL4609604;DTXSID10197773;ZCVUMNJAVAXADT-UHFFFAOYSA-N;AKOS013511822;LS-38872

Chemical Property of 4-Amino-3-methylbenzophenone

Chemical Property:

• Vapor Pressure: 1.81E-06mmHg at 25°C
• Boiling Point: 395.7°C at 760 mmHg
• Flash Point: 193.1°C
• PSA: 43.09000
• Density: 1.135g/cm³
• LogP: 3.38940
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 211.099714038
• Heavy Atom Count: 16
• Complexity: 245

Purity/Quality:

99%min ^*data from raw suppliers

4-BENZOYL-2-METHYLANILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)N

Technology Process of 4-Amino-3-methylbenzophenone

There total 8 articles about 4-Amino-3-methylbenzophenone 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: 89.0%

N-benzoyl-2-methylaniline (584-70-3) → (4-amino-3-methylphenyl)(phenyl)methanone (4934-55-8)

Guidance literature:

With aluminium trichloride; for 0.0666667h; microwave irradiation;

Reference yield: 73.0%

4-benzyl-2-methylbenzenamine (62441-37-6) → (4-amino-3-methylphenyl)(phenyl)methanone (4934-55-8)

Guidance literature:

With hydrogenchloride; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In water; at 20 ℃; for 2h; regiospecific reaction;

DOI:10.1016/j.cclet.2011.03.016

Reference yield: 52.0%

o-toluidine (95-53-4) + benzyl alcohol (100-51-6,185532-71-2) → (4-amino-3-methylphenyl)(phenyl)methanone (4934-55-8)

Guidance literature:

With 3C₁₈H₂₆NO₃⁽¹⁺⁾*HPMo₁₁VO₄₀^(3-); oxygen; In chloroform; dimethyl sulfoxide; at 150 ℃; for 8h; Green chemistry;

DOI:10.1039/c8cy01423j

upstream raw materials:

N-benzoyl-2-methylaniline

benzoyl chloride

o-toluidine

3-methyl-4-nitrobenzoic acid

Downstream raw materials:

N-(4-(hydroxydiphenylmethyl)-2-methylphenyl)acetamide

acetic acid-(4-benzoyl-2-methyl-anilide)

4-iodo-3-methyl-benzophenone

(4-benzoyl-2-methyl-phenylsulfanyl)-acetic acid

Refernces

• 1、 Mane, Madhav S.,Balaskar, Ravi S.,Gavade, Sandip N.,Pabrekar, Pramod N.,Shingare, Murlidhar S.,Mane, Dhananjay V.. "Regiospecific oxidation of an alkyl group of aromatic amine to carbonyl group by DDQ in aq. medium". experimental part. p. 1039 - 1042. Retrieved 2012/06/01.
• 2、 Magdy, M.,Malik, Abdel-,Mayo, Paul de. "SURFACE PHOTOCHEMISTRY: THE AMIDE PHOTO-FRIES REARRANGEMENT". . p. 1275 - 1278. Retrieved 2007/10/02.