(S)-3-AMINO-5-PHENYLPENTANOIC ACID HYDROCHLORIDE

Base Information

• Chemical Name: (S)-3-AMINO-5-PHENYLPENTANOIC ACID HYDROCHLORIDE
• CAS No.: 218278-62-7
• Molecular Formula: C₁₁H₁₅NO₂
• Molecular Weight: 193.246
• DSSTox Substance ID: DTXSID20375843
• Nikkaji Number: J1.894.886I
• Mol file: 218278-62-7.mol

Synonyms:(3S)-3-Amino-5-phenylpentanoic acid;

Chemical Property of (S)-3-AMINO-5-PHENYLPENTANOIC ACID HYDROCHLORIDE

Chemical Property:

• Vapor Pressure: 4.52E-06mmHg at 25°C
• Refractive Index: 1.555
• Boiling Point: 368.227 °C at 760 mmHg
• Flash Point: 176.497 °C
• PSA: 63.32000
• Density: 1.134 g/cm³
• LogP: 2.12150
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 176

Purity/Quality:

98%min ^*data from raw suppliers

(S)-3-Amino-5-phenyl-pentanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCC(CC(=O)O)N
• Isomeric SMILES: C1=CC=C(C=C1)CC[C@@H](CC(=O)O)N

Technology Process of (S)-3-AMINO-5-PHENYLPENTANOIC ACID HYDROCHLORIDE

There total 14 articles about (S)-3-AMINO-5-PHENYLPENTANOIC 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: 95.0%

3-benzoylamino-5-phenylpentanoic acid methyl ester → 3-amino-5-phenylpentanoic acid (147228-37-3,218278-62-7)

Guidance literature:

With hydrogenchloride; In water; for 3h; Reflux;

Reference yield: 89.0%

3-hydroxyamino-5-phenylpentanoic acid (124082-04-8) → Valeric acid, 3-amino-5-phenyl-(+/-)-3-Amino-5-phenylpentanoic acid (91247-38-0,147228-37-3,218278-62-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In acetic acid;

Reference yield: 47.0%

3-amino-5-phenyl-pentanoic acid ethyl ester (134420-70-5) → (S)-3-amino-5-phenylpentanoic acid (1090904-04-3) + (3R)-3-amino-5-phenylpentanoic acid (147228-37-3,218278-62-7)

Guidance literature:

With Burkholderia cepacia lipase; water; In di-isopropyl ether; at 45 ℃; for 72h; optical yield given as %ee; enantioselective reaction; Resolution of racemate; Enzymatic reaction;

DOI:10.1039/b920731g

upstream raw materials:

3-hydroxyamino-5-phenylpentanoic acid

3-phenyl-propionaldehyde

malonic acid

5-phenyl-2(E)-pentenoic acid

Downstream raw materials:

3-(R)-[(1-cyano-4-hydroxy-7-phenoxyisoquinoline-3-carbonyl)amino]-5-phenylpentanoic acid

Refernces

• 1、 Tasnadi, Gabor,Forro, Enik,Fueloep, Ferenc. "Improved enzymatic syntheses of valuable β-arylalkyl-β-amino acid enantiomers". experimental part. p. 793 - 799. Retrieved 2010/06/20.
• 2、 Lazar, Laszlo,Martinek, Tamas,Bernath, Gabor,Fueloep, Ferenc. "A simple synthesis of β-alkyl-substituted β-amino acids". . p. 219 - 224. Retrieved 2007/10/03.