(2-Aminophenyl)(m-tolyl)methanone

Base Information

• Chemical Name: (2-Aminophenyl)(m-tolyl)methanone
• CAS No.: 62261-47-6
• Molecular Formula: C14H13NO
• Molecular Weight: 211.263
• DSSTox Substance ID: DTXSID90564525
• Nikkaji Number: J36.156I
• Wikidata: Q82449238
• Mol file: 62261-47-6.mol

Synonyms:62261-47-6;(2-Aminophenyl)(m-tolyl)methanone;Methanone, (2-aminophenyl)(3-methylphenyl)-;(2-Aminophenyl)(3-methylphenyl)methanone;(2-aminophenyl)-(3-methylphenyl)methanone;SCHEMBL10372151;DTXSID90564525;OMQSFYCLALWVOF-UHFFFAOYSA-N;AKOS014161594;CS-0289987;Z1250198954

Chemical Property of (2-Aminophenyl)(m-tolyl)methanone

Chemical Property:

• Melting Point: 57 °C
• Boiling Point: 407.1±38.0 °C(Predicted)
• PSA: 43.09000
• Density: 1.135±0.06 g/cm3(Predicted)
• 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: 251

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(=O)C2=CC=CC=C2N

Technology Process of (2-Aminophenyl)(m-tolyl)methanone

There total 9 articles about (2-Aminophenyl)(m-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: 91.0%

m-tolylboronic acid (17933-03-8) + anthranilic acid nitrile (1885-29-6) → (2-aminophenyl)(3-methylphenyl)methanone (62261-47-6)

Guidance literature:

With 5,5'-dimethyl-2,2'-bipyridine; methanesulfonic acid; palladium(II) trifluoroacetate; water; In 2-methyltetrahydrofuran; at 80 ℃; for 36h; Schlenk technique;

DOI:10.1039/c4ob00978a

Reference yield: 89.0%

meta-bromotoluene (591-17-3) + anthranilic acid nitrile (1885-29-6) → (2-aminophenyl)(3-methylphenyl)methanone (62261-47-6)

Guidance literature:

meta-bromotoluene; With magnesium; ethylene dibromide; In diethyl ether; for 3h; Reflux;

anthranilic acid nitrile; In diethyl ether; Reflux;

Reference yield: 78.0%

C14H13NO4S → (2-aminophenyl)(3-methylphenyl)methanone (62261-47-6)

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

upstream raw materials:

meta-bromotoluene

anthranilic acid N-methoxy-N-methylamide

m-tolylmagnesium bromide

3-Methylbenzonitrile

Downstream raw materials:

2,2,2-trichloro-N-[2-(3-methylbenzoyl)phenyl]acetamide

3-[2-(diethylamino)ethyl]-4-(3-methylphenyl)-4-(trichloromethyl)-3,4-dihydroquinazolin-2(1H)-one