4-Methyl-3-phenylaniline

Base Information

• Chemical Name: 4-Methyl-3-phenylaniline
• CAS No.: 13480-37-0
• Molecular Formula: C13H13N
• Molecular Weight: 183.253
• Hs Code.: 2921499090
• European Community (EC) Number: 808-779-6
• DSSTox Substance ID: DTXSID90482275
• Nikkaji Number: J81.624H
• Wikidata: Q82318435
• Mol file: 13480-37-0.mol

Synonyms:4-Methyl-3-phenylaniline;13480-37-0;6-Methyl-[1,1'-biphenyl]-3-amine;2-Methylbiphenyl-5-amine;6-Methyl-biphenyl-3-ylamine;MFCD11933352;6-Methylbiphenyl-3-amine;SCHEMBL3791175;DTXSID90482275;COYWNBKOPFAEDG-UHFFFAOYSA-N;AKOS012638794;CS-0196110;E90651;EN300-1141838;A887807

Chemical Property of 4-Methyl-3-phenylaniline

Chemical Property:

• Melting Point: 128-131 °C
• Boiling Point: 330.9±21.0 °C(Predicted)
• PKA: 4.77±0.10(Predicted)
• PSA: 26.02000
• Density: 1.057±0.06 g/cm3(Predicted)
• 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:

97% ^*data from raw suppliers

4-Methyl-3-phenylaniline ^*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)C2=CC=CC=C2

Technology Process of 4-Methyl-3-phenylaniline

There total 12 articles about 4-Methyl-3-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: 77.0%

3-bromo-4-methylaniline (7745-91-7) + phenylboronic acid (98-80-6) → 3-phenyl-4-methylaniline (13480-37-0)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,4-dioxane; water; toluene; for 12h; Reflux;

Reference yield: 47.0%

Ar + 3-bromo-4-methylaniline (7745-91-7) + sodium carbonate (497-19-8) + phenylboronic acid (98-80-6) → 3-phenyl-4-methylaniline (13480-37-0)

Guidance literature:

Pd(PPh₃)4; In ethanol; ethyl acetate; toluene;

Reference yield: 47.0%

→ 3-phenyl-4-methylaniline (13480-37-0)

Guidance literature:

upstream raw materials:

4-Nitro-2-phenyltoluene

N-4-methylphenylhydrazine

benzene

N-(4-methylphenyl)hydroxylamine

Downstream raw materials:

N-<6-Methyl-biphenylyl-(3)-carbamoylmethyl>-N-benzyl-aminoessigsaeure