3-Methyl-4-phenylaniline

Base Information

• Chemical Name: 3-Methyl-4-phenylaniline
• CAS No.: 63019-97-6
• Molecular Formula: C13H13N
• Molecular Weight: 183.253
• DSSTox Substance ID: DTXSID00978917
• Nikkaji Number: J36.159C
• Wikidata: Q82964403
• ChEMBL ID: CHEMBL310631
• Mol file: 63019-97-6.mol

Synonyms:3-methyl-4-phenylaniline;63019-97-6;2-Methyl-4-aminodiphenyl;BRN 2717270;4-BIPHENYLAMINE, 2-METHYL-;2-methyl-[1,1'-biphenyl]-4-amine;4-Amino-2-methylbiphenyl;CHEMBL310631;SCHEMBL1919176;DTXSID00978917;4-amino-2-methyl-1-phenylbenzene;2-Methyl[1,1'-biphenyl]-4-amine;AKOS000125040;LS-44142;CS-0233877;EN300-136797;A1-08759;Z363994652

Chemical Property of 3-Methyl-4-phenylaniline

Chemical Property:

• Vapor Pressure: 0.000943mmHg at 25°C
• Refractive Index: 1.5963 (estimate)
• Boiling Point: 303.2°C at 760 mmHg
• Flash Point: 144.3°C
• PSA: 26.02000
• Density: 1.057g/cm³
• LogP: 3.82540
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 183.104799419
• Heavy Atom Count: 14
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

3-methyl-4-phenylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-Methyl-4-phenylaniline

There total 2 articles about 3-Methyl-4-phenylaniline 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: 47.7%

N-(3-methylphenyl)hydroxylamine (620-25-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 4-amino-2-methyl-1-phenylbenzene (63019-97-6) + 6-methyl-[1,1'-biphenyl]-2-amine (76472-83-8) + 2-amino-4-methylbiphenyl (54147-94-3) + 3-methyl-4-((trifluoromethanesulfonyl)oxy)aniline

Guidance literature:

With trifluorormethanesulfonic acid; at 5 ℃; for 0.5h;

DOI:10.1021/ja00393a025

Reference yield:

N-4-methylphenylhydrazine (539-44-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → p-benzylaniline (1135-12-2) + 4-amino-2-methyl-1-phenylbenzene (63019-97-6) + 2-amino-5-methylbiphenyl (42308-28-1) + 3-phenyl-4-methylaniline (13480-37-0)

Guidance literature:

trifluorormethanesulfonic acid; at 5 ℃; for 0.5h; Product distribution; Mechanism;

DOI:10.1016/S0040-4039(00)98933-0

Reference yield: 55.0%

4-amino-2-methyl-1-phenylbenzene (63019-97-6) + phenyl isocyanate (103-71-9) → 1-(2-methylbiphenyl-4-yl)-3-phenylurea

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 25 ℃; for 16h;

upstream raw materials:

N-4-methylphenylhydrazine

benzene

N-(3-methylphenyl)hydroxylamine

Downstream raw materials:

pinacol(4-phenyl-3-(2-(tertbutylcarboxyl)ethyl)phenyl)boronate

pinacol(4-phenyl-(3-(2-carboxyethyl))phenyl)boronate

(2R)-N-[(1S)-1-(carboxy)-2,2-dimethylpropyl]-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-5-[(3-methyl-4-phenyl)phenyl]pentanamide

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