3-Phenyl-3-anilinopropionic acid

Base Information

• Chemical Name: 3-Phenyl-3-anilinopropionic acid
• CAS No.: 6049-56-5
• Molecular Formula: C₁₅H₁₅NO₂
• Molecular Weight: 241.29
• DSSTox Substance ID: DTXSID001289681
• Nikkaji Number: J1.461.979H
• Mol file: 6049-56-5.mol

Synonyms:SCHEMBL5691034;3-Phenyl-3-anilinopropionic acid;DTXSID001289681;beta-(Phenylamino)benzenepropanoic acid;6049-56-5

Chemical Property of 3-Phenyl-3-anilinopropionic acid

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 241.110278721
• Heavy Atom Count: 18
• Complexity: 255

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CC(=O)O)NC2=CC=CC=C2

Technology Process of 3-Phenyl-3-anilinopropionic acid

There total 13 articles about 3-Phenyl-3-anilinopropionic acid 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: 90.0%

2-(2-anilino-2-phenyl)ethyl-2-oxazoline → N-Phenyl-β-phenyl-β-alanine (6049-56-5)

Guidance literature:

With hydrogenchloride; Dowex-H⁽¹⁺⁾; for 3h; Heating;

DOI:10.1016/S0040-4039(98)02469-1

Reference yield: 80.0%

C,N-diphenylnitrone (201024-81-9) → N-Phenyl-β-phenyl-β-alanine (6049-56-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; for 3h; under 760 Torr; Ambient temperature;

Reference yield: 80.0%

ethyl 3-anilino-3-phenylpropanoate (6846-55-5,870998-80-4) → N-Phenyl-β-phenyl-β-alanine (6049-56-5)

Guidance literature:

With sodium hydroxide;

DOI:10.1080/10426500601160397

upstream raw materials:

3-bromo-3-phenylpropionic acid

aniline

C,N-diphenylnitrone

1,4-diphenyl-azetidin-2-one

Downstream raw materials:

1-[[1-[3-Phenyl-3-(phenylamino)propionyl]-4-piperidyl]methyl]-1H-2-methylimidazo[4,5-c]pyridine

3-phenyl-3-(phenylamino)propan-1-ol

1,4-diphenyl-azetidin-2-one