Methanone, (2-amino-3-methylphenyl)phenyl-

Base Information

• Chemical Name: Methanone, (2-amino-3-methylphenyl)phenyl-
• CAS No.: 5054-32-0
• Molecular Formula: C14H13NO
• Molecular Weight: 211.263
• Hs Code.: 2922399090
• DSSTox Substance ID: DTXSID20484863
• Nikkaji Number: J80.945D
• Wikidata: Q82323553
• Mol file: 5054-32-0.mol

Synonyms:5054-32-0;Methanone, (2-amino-3-methylphenyl)phenyl-;(2-amino-3-methylphenyl)-phenylmethanone;(2-amino-3-methylphenyl)(phenyl)methanone;3-methyl-2-aminobenzophenone;SCHEMBL2760394;DTXSID20484863;FBWIBFRRBJHQTK-UHFFFAOYSA-N;AKOS013746835;(2-amino-3-methylphenyl)(phenyl) methanone

Chemical Property of Methanone, (2-amino-3-methylphenyl)phenyl-

Chemical Property:

• PSA: 43.09000
• LogP: 3.38940
• XLogP3: 3.5
• 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:

95% ^*data from raw 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 Methanone, (2-amino-3-methylphenyl)phenyl-

There total 8 articles about Methanone, (2-amino-3-methylphenyl)phenyl- 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: 78.0%

C14H13NO4S → (2-amino-3-methylphenyl)(phenyl)methanone (5054-32-0)

Guidance literature:

With dipotassium hydrogenphosphate; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; triphenylphosphine; In 1,4-dioxane; at 25 ℃; for 8h; Schlenk technique; Inert atmosphere; Sealed tube; Irradiation;

DOI:10.1002/chem.201903816

Reference yield: 64.0%

benzonitrile (100-47-0) + o-toluidine (95-53-4) → (2-amino-3-methylphenyl)(phenyl)methanone (5054-32-0)

Guidance literature:

benzonitrile; o-toluidine; With aluminum (III) chloride; boron trichloride; In toluene; for 16h; Cooling with ice; Reflux;

With hydrogenchloride; In water; toluene; for 1.5h; Cooling with ice; Reflux;

DOI:10.1055/s-0040-1720865

Reference yield:

bromobenzene (108-86-1,52753-63-6) + 2-amino-N-methoxy-N,3-dimethylbenzamide (886574-89-6) → (2-amino-3-methylphenyl)(phenyl)methanone (5054-32-0)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at -78 ℃; Inert atmosphere;

DOI:10.1021/acs.joc.9b01418

upstream raw materials:

N-(2-benzoyl-6-methylphenyl)acetamide

N-benzoyl-2-methylaniline

2,8-dimethyl-4H-3,1-benzoxazin-4-one

bromobenzene

Downstream raw materials:

(2-iodo-3-methylphenyl)(phenyl)methanone

9-methyl-5-phenyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one

(S)-benzyl (9-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e] [1,4]diazepin-3-yl)carbamate

(2R,3S)-3-((1-fluorocyclobutyl)methyl)-N-((3S)-9-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-2-(3,3,3-trifluoropropyl)succinamide

Refernces

• 1、 Li, Quanzhe,Liu, Jiaxin,Shi, Min,Wei, Yin. "Visible Light Induced Cyclization to Spirobi[indene] Skeletons from Functionalized Alkylidienecyclopropanes". supporting information. . Retrieved 2020/03/26.
• 2、 Fan, Xing,Shi, Min,Wei, Yin. "Palladium-Catalyzed Cascade Reductive and Carbonylative Cyclization of Ortho-Iodo-Tethered Methylenecyclopropanes (MCPs) Using N-Formylsaccharin as CO Source". supporting information. p. 5677 - 5683. Retrieved 2019/11/16.