4-Amino-4-phenylbutanoic acid

Base Information

• Chemical Name: 4-Amino-4-phenylbutanoic acid
• CAS No.: 1011-60-5
• Molecular Formula: C10H13 N O2
• Molecular Weight: 179.219
• Hs Code.: 2922499990
• NSC Number: 230421
• DSSTox Substance ID: DTXSID501307224
• Nikkaji Number: J13.532A
• Mol file: 1011-60-5.mol

Synonyms:4-amino-4-phenylbutanoic acid;1011-60-5;4-Amino-4-phenyl-butyric acid;gamma-Phenyl GABA;4-Amino-4-phenylbutyric acid;NSC 230421;BRN 2720548;BUTYRIC ACID, 4-AMINO-4-PHENYL-;4-amino-4-phenyl-butanoic acid;(S)-4-Amino-4-phenylbutyric acid;201863-98-1;4-14-00-01716 (Beilstein Handbook Reference);NSC230421;Oprea1_453514;4-amino-4-phenylbutanoicacid;SCHEMBL372488;4-phenyl-4-aminobutanoic acid;DTXSID501307224;BIA86397;MFCD00844723;STL565288;AKOS004119486;AKOS016344083;NSC-230421;SB30103;SB35170;SB35171;LS-47835;BB 0257397;CS-0249376;EN300-43298

Chemical Property of 4-Amino-4-phenylbutanoic acid

Chemical Property:

• Vapor Pressure: 5.84E-05mmHg at 25°C
• Boiling Point: 332.3°Cat760mmHg
• Flash Point: 154.8°C
• PSA: 63.32000
• Density: 1.161g/cm³
• LogP: 2.25150
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Amino-4-phenyl-butyricacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CCC(=O)O)N

Technology Process of 4-Amino-4-phenylbutanoic acid

There total 14 articles about 4-Amino-4-phenylbutanoic 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: 80.0%

4-hydroxyimino-4-phenylbutanoic acid (87252-81-1) → (rac)-4-amino-4-phenylbutanoic acid (1011-60-5,201863-97-0)

Guidance literature:

With ammonia; sodium; In methanol; for 2h;

Reference yield:

succinylbenzene (2051-95-8) → (rac)-4-amino-4-phenylbutanoic acid (1011-60-5,201863-97-0)

Guidance literature:

With ammonium acetate; sodium cyanoborohydride; In methanol; for 48h; Ambient temperature;

DOI:10.1021/jm00080a013

Reference yield:

4-phenyl-4-phenylhydrazono-crotonic acid (6627-28-7) → (rac)-4-amino-4-phenylbutanoic acid (1011-60-5,201863-97-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

upstream raw materials:

4-phenyl-but-3-enoic acid amide

4-hydroxyimino-4-phenylbutanoic acid

(+/-)-5-phenyl-2-pyrrolidinone

4-phenyl-4-phenylhydrazono-crotonic acid

Downstream raw materials:

(+/-)-5-phenyl-2-pyrrolidinone

4-Amino-4-phenyl-butyric acid octyl ester; hydrochloride

4-Amino-4-phenyl-butyric acid hexyl ester; hydrochloride

N-propargyl-5-phenyl-2-pyrrolidone

Refernces

• 1、 Nguyen, Dat P.,Sladek, Rudolph N.,Do, Loi H.. "Scope and limitations of reductive amination catalyzed by half-sandwich iridium complexes under mild reaction conditions". supporting information. . Retrieved 2020/07/15.
• 2、 Nilsson, Bjoern M.,Vargas, Hugo M.,Ringdahl, Bjoern,Hacksell, Uli. "Phenyl-Substituted Analogues of Oxotremorine as Muscarinic Antagonists". . p. 285 - 294. Retrieved 2007/10/02.