(S)-4-Amino-3-phenylbutanoic acid hydrochloride

Base Information

• Chemical Name: (S)-4-Amino-3-phenylbutanoic acid hydrochloride
• CAS No.: 52950-37-5
• Molecular Formula: C₁₀H₁₃NO₂*ClH
• Molecular Weight: 215.68
• UNII: TT432JJ3EE
• DSSTox Substance ID: DTXSID10500647
• Wikidata: Q27290304
• Mol file: 52950-37-5.mol

Synonyms:(S)-4-Amino-3-phenylbutanoic acid hydrochloride;52950-37-5;UNII-TT432JJ3EE;TT432JJ3EE;(S)-4-Amino-3-phenylbutyric acid hydrochloride;(+)-4-Amino-3-phenylbutyric acid hydrochloride;4-Amino-3-phenylbutyric acid hydrochloride, (S)-;(3S)-4-amino-3-phenylbutanoic acid;hydrochloride;(S)-4-Amino-3-phenylbutanoic acid HCl;Benzenepropanoic acid, beta-(aminomethyl)-, hydrochloride (1:1), (betaS)-;Phenibut (hydrochloride);(3S)-4-AMINO-3-PHENYLBUTANOIC ACID HYDROCHLORIDE;DTXSID10500647;AKOS022176126;DS-6534;C75482;EN300-7407308;A870861;Q27290304;(3S)-4-Amino-3-phenylbutanoic acid--hydrogen chloride (1/1);BENZENEPROPANOIC ACID, .BETA.-(AMINOMETHYL)-, HYDROCHLORIDE (1:1), (.BETA.S)-

Chemical Property of (S)-4-Amino-3-phenylbutanoic acid hydrochloride

Chemical Property:

• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 215.0713064
• Heavy Atom Count: 14
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

(S)-4-Amino-3-phenylbutanoicacidhydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CC(=O)O)CN.Cl
• Isomeric SMILES: C1=CC=C(C=C1)[C@H](CC(=O)O)CN.Cl

Technology Process of (S)-4-Amino-3-phenylbutanoic acid hydrochloride

There total 12 articles about (S)-4-Amino-3-phenylbutanoic acid 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: 91.0%

C11H11N3O3 → (±)-3-carboxy-2-phenylpropan-1-aminium chloride (3060-41-1,52950-37-5)

Guidance literature:

C₁₁H₁₁N₃O₃; In tetrahydrofuran; at 60 ℃; for 3h; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; for 1.5h; Inert atmosphere;

DOI:10.1002/chem.202003280

Reference yield: 90.0%

C17H19NO2*ClH → (±)-3-carboxy-2-phenylpropan-1-aminium chloride (3060-41-1,52950-37-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; under 760.051 Torr;

DOI:10.1021/acs.joc.5b00111

Reference yield: 89.0%

C12H17NO2 (1431854-83-9) → 4-amino-(3S)-3-phenyl-butyric acid hydrochloride (52950-37-5)

Guidance literature:

With hydrogenchloride; In water; acetic acid; at 20 ℃; for 24h;

DOI:10.1016/j.tetasy.2013.02.016

upstream raw materials:

4-phenylpyrrolidin-2-one

α-phenyl-β-benzoyl-γ-nitrobutyrate ethyl ester

4-amino-3-phenylbutanoic acid methyl ester

3-phenylglutaronitrile

Downstream raw materials:

C₁₅H₂₁NO₃Si

2-oxo-4-phenyl-1-pyrrolidineacetic acid, ethyl ester

2-(2-oxo-4-phenylpyrrolidin-1-yl)acetic acid

methyl-2-oxo-4-phenylpyrrolidine-1-acetate

Refernces

• 1、 Tomar, Radha,Bhattacharya, Debabrata,Babu, Srinivasarao Arulananda. "Assembling of medium/long chain-based β-arylated unnatural amino acid derivatives via the Pd(II)-catalyzed sp3 β-C-H arylation and a short route for rolipram-type derivatives". . p. 2447 - 2465. Retrieved 2019/03/26.
• 2、 -. "COMPOUND, MANUFACTURING METHOD OF COMPOUND THROUGH ASYMMETRIC MICHAEL ADDITION USING THE COMPOUND AND MANUFACTURING METHOD OF PHENIBUT USING THE COMPOUND". Paragraph 0127-0131. . Retrieved 2018/05/16.