3'-Methyl-[1,1'-biphenyl]-3-amine hydrochloride

Base Information

• Chemical Name: 3'-Methyl-[1,1'-biphenyl]-3-amine hydrochloride
• CAS No.: 400749-90-8
• Molecular Formula: C13H13N
• Molecular Weight: 183.25
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID10374921
• Mol file: 400749-90-8.mol

Synonyms:3'-Methyl-[1,1'-biphenyl]-3-amine hydrochloride;400749-90-8;(3'-Methyl-3-biphenylyl)amine hydrochloride;(3'-Methylbiphenyl-3-yl)amine hydrochloride;1049731-90-9;3-(3-methylphenyl)aniline;hydrochloride;DTXSID10374921;MFCD06739422;AKOS015907866;SB76813;BS-39154;3'-Methyl-biphenyl-3-ylamine hydrochloride;FT-0683177;A873478;3'-Methyl[1,1'-biphenyl]-3-amine--hydrogen chloride (1/1)

Chemical Property of 3'-Methyl-[1,1'-biphenyl]-3-amine hydrochloride

Chemical Property:

• Boiling Point: 345.8oC at 760 mmHg
• Flash Point: 176.7oC
• PSA: 26.02000
• Density: 1.057g/cm3
• LogP: 3.82540
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 219.0814771
• Heavy Atom Count: 15
• Complexity: 178

Purity/Quality:

98%min ^*data from raw suppliers

(3''-methylbiphenyl-3-yl)aminehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3'-Methyl-[1,1'-biphenyl]-3-amine hydrochloride

There total 3 articles about 3'-Methyl-[1,1'-biphenyl]-3-amine hydrochloride 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: 66.0%

m-tolylboronic acid (17933-03-8) + m-Bromoaniline (591-19-5) → 3‐(3‐methylphenyl)aniline (400749-90-8)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydrogencarbonate; In 1,2-dimethoxyethane; water; for 16h; Inert atmosphere; Reflux;

DOI:10.1021/acs.jmedchem.7b00707

Reference yield: 66.0%

→ 3‐(3‐methylphenyl)aniline (400749-90-8)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydrogencarbonate; In 1,2-dimethoxyethane; water; for 16h; Reflux; Inert atmosphere;

Reference yield:

3-methyl-3'-nitro-1,1'-biphenyl (952-03-4) → 3‐(3‐methylphenyl)aniline (400749-90-8)

Guidance literature:

With stannous chloride dihydrate; In ethyl acetate; for 2h; Reflux; Inert atmosphere;

DOI:10.1021/jm900030h

upstream raw materials:

3-methyl-3'-nitro-1,1'-biphenyl

m-tolylboronic acid

m-Bromoaniline

Downstream raw materials:

(3-benzyl-3H-imidazol-4-ylmethyl)-(3'-methyl-biphenyl-3-yl)-amine

Refernces

• 1、 Nguyen, Thuy,German, Nadezhda,Decker, Ann M.,Langston, Tiffany L.,Gamage, Thomas F.,Farquhar, Charlotte E.,Li, Jun-Xu,Wiley, Jenny L.,Thomas, Brian F.,Zhang, Yanan. "Novel Diarylurea Based Allosteric Modulators of the Cannabinoid CB1 Receptor: Evaluation of Importance of 6-Pyrrolidinylpyridinyl Substitution". . p. 7410 - 7424. Retrieved 2017/09/22.