4,4'-Dimethyl[1,1'-biphenyl]-2-amine

Base Information

• Chemical Name: 4,4'-Dimethyl[1,1'-biphenyl]-2-amine
• CAS No.: 5101-15-5
• Molecular Formula: C₁₄H₁₅N
• Molecular Weight: 197.28
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID10569739
• Nikkaji Number: J80.955A
• Wikidata: Q82456952
• Mol file: 5101-15-5.mol

Synonyms:5101-15-5;SCHEMBL11365078;DTXSID10569739;AKOS017530421;4,4'-Dimethyl[1,1'-biphenyl]-2-amine;4,4'-Dimethyl-[1,1'-biphenyl]-2-amine

Chemical Property of 4,4'-Dimethyl[1,1'-biphenyl]-2-amine

Chemical Property:

• PSA: 26.02000
• LogP: 4.13380
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 197.120449483
• Heavy Atom Count: 15
• Complexity: 194

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,4'-Dimethyl[1,1'-biphenyl]-2-amine

There total 9 articles about 4,4'-Dimethyl[1,1'-biphenyl]-2-amine 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: 95.0%

2-bromo-5-methylaniline (53078-85-6) + 4-methylphenylboronic acid (5720-05-8) → 4,4'-dimethyl-[1,1'-biphenyl]-2-amine (5101-15-5)

Guidance literature:

With potassium phosphate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; water; toluene; at 96 ℃; for 24h; Inert atmosphere;

DOI:10.1002/anie.201803603

Reference yield: 93.0%

2-iodo-5-methylaniline (13194-69-9) + 4-methylphenylboronic acid (5720-05-8) → 4,4'-dimethyl-[1,1'-biphenyl]-2-amine (5101-15-5)

Guidance literature:

With palladium diacetate; potassium carbonate; In water; acetone; at 65 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.6b00641

Reference yield:

4,4'-dimethyl-2-nitro-1,1'-biphenyl (53356-70-0) → 4,4'-dimethyl-[1,1'-biphenyl]-2-amine (5101-15-5)

Guidance literature:

With hydrogenchloride; acetic acid; tin(ll) chloride;

DOI:10.1039/jr9320002391

upstream raw materials:

4,4'-dimethyl-2-nitro-1,1'-biphenyl

(4,4'-dimethyl-1,1'-biphenyl)

4-tolyl iodide

4-Bromo-3-nitrotoluene

Downstream raw materials:

3,7,3',7'-tetramethyl-5-(2,4,6-triisopropyl-phenyl)-5H-5λ⁵-[5,5']spirobi(benzo[b]phosphindole)

5-(2-isopropyl-phenyl)-3,7,3',7'-tetramethyl-5H-5λ⁵-[5,5']spirobi(benzo[b]phosphindole)

4,4'-dimethyl-[1,1'-biphenyl]-2-ol