4-Amino-3-methylbiphenyl

Base Information

• Chemical Name: 4-Amino-3-methylbiphenyl
• CAS No.: 63019-98-7
• Molecular Formula: C13H13N
• Molecular Weight: 183.253
• Hs Code.: 2921499090
• UNII: 7BX74AD4BS
• DSSTox Substance ID: DTXSID2036829
• Nikkaji Number: J36.439H
• Wikidata: Q27894637
• ChEMBL ID: CHEMBL84548
• Mol file: 63019-98-7.mol

Synonyms:4-Amino-3-methylbiphenyl;63019-98-7;2-Methyl-4-phenylaniline;3-Methyl-[1,1'-biphenyl]-4-amine;3-Methyl-4-aminobiphenyl;3-Methyl-4-aminodiphenyl;BRN 2802968;4-BIPHENYLAMINE, 3-METHYL-;3-Methylbiphenyl-4-amine;7BX74AD4BS;3-12-00-03238 (Beilstein Handbook Reference);UNII-7BX74AD4BS;2-methyl-4-phenyl-aniline;3-Methyl-biphenyl-4-ylamine;CHEMBL84548;SCHEMBL807858;DTXSID2036829;MFCD00269889;4-amino-3-methylbiphenyl, AldrichCPR;AKOS000124477;LS-44144;CS-0280571;FT-0617500;FT-0661898;EN300-57800;F30689;A834156;Q27894637

Chemical Property of 4-Amino-3-methylbiphenyl

Chemical Property:

• Vapor Pressure: 0.000541mmHg at 25°C
• Melting Point: 38-39oC
• Refractive Index: 1.6193 (estimate)
• Boiling Point: 312.1°Cat760mmHg
• Flash Point: 151°C
• PSA: 26.02000
• Density: 1.057g/cm³
• LogP: 3.82540
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility.: Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.9
• 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:

98%min ^*data from raw suppliers

4-Amino-3-methylbiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Amino-3-methylbiphenyl

There total 15 articles about 4-Amino-3-methylbiphenyl 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: 97.0%

4-Bromo-2-methylaniline (583-75-5) + phenylboronic acid (98-80-6) → 3-methylbiphenyl-4-amine (63019-98-7)

Guidance literature:

With potassium phosphate; palladium diacetate; In water; at 100 ℃; for 1h; Inert atmosphere; Green chemistry;

DOI:10.1021/acs.oprd.6b00180

Reference yield: 97.0%

N-(3-methyl-biphenyl-4-yl)-acetamide (63040-30-2) → 3-methylbiphenyl-4-amine (63019-98-7)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1039/c39950000153

Reference yield: 92.0%

4-iodo-2-methylaniline (13194-68-8) + phenylboronic acid (98-80-6) → 3-methylbiphenyl-4-amine (63019-98-7)

Guidance literature:

With potassium carbonate; In water; at 90 ℃; for 8h;

DOI:10.1166/jnn.2012.6132

upstream raw materials:

3-methyl-4-nitrobiphenyl

N-(3-methyl-biphenyl-4-yl)-acetamide

N-chloro-2'-methylacetanilide

benzene

Downstream raw materials:

4-amino-3-methylbiphenyl hydrochloride

Refernces

• 1、 -. "METAL COMPLEX, COMPOSITION AND LIGHT EMITTING DEVICE". Paragraph 0498; 0499. . Retrieved 2019/07/03.
• 2、 -. "PRODUCTION METHOD OF 1, 2, 4-TRIAZOLE COMPOUND". Paragraph 0229; 0230. . Retrieved 2017/10/23.