3-Amino-5-phenylpentanoic acid

Base Information

• Chemical Name: 3-Amino-5-phenylpentanoic acid
• CAS No.: 91247-38-0
• Molecular Formula: C11H15 N O2
• Molecular Weight: 193.24
• Hs Code.: 29224985
• European Community (EC) Number: 674-819-2
• DSSTox Substance ID: DTXSID601347590
• Nikkaji Number: J1.779.403E
• Mol file: 91247-38-0.mol

Synonyms:3-amino-5-phenylpentanoic acid;91247-38-0;3-Amino-5-phenyl-pentanoic acid;dl-homobenzyl-beta-alanine;3-Amino-5-phenylpentanoicacid;MFCD01318914;DL-Homobenzyl- -alanine;SCHEMBL45498;b-Amino-benzenepentanoic acid;(R)-Amino-5-phenylpentanoic acid hydrochloride;DTXSID601347590;AKOS009158568;AB08760;AB88541;AB89190;AC-23539;AS-60532;SY013389;3-amino-5-phenyl-pentanoic acid, AldrichCPR;CS-0171324;FT-0642194;FT-0643404;FT-0652566;A13213;EN300-343717

Chemical Property of 3-Amino-5-phenylpentanoic acid

Chemical Property:

• Vapor Pressure: 4.52E-06mmHg at 25°C
• Melting Point: 223-227 °C
• Refractive Index: 1.5041 (estimate)
• Boiling Point: 368.2°Cat760mmHg
• Flash Point: 176.5°C
• PSA: 63.32000
• Density: 1.133g/cm³
• LogP: 2.12150
• Storage Temp.: Sealed in dry,Room Temperature
• 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:

97% ^*data from raw suppliers

3-Amino-5-phenylpentanoic acid ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Amino-5-phenylpentanoic acid

There total 6 articles about 3-Amino-5-phenylpentanoic 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: 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: 33.0%

3-phenyl-propionaldehyde (104-53-0) + malonic acid (141-82-2) → Valeric acid, 3-amino-5-phenyl-(+/-)-3-Amino-5-phenylpentanoic acid (91247-38-0,147228-37-3,218278-62-7)

Guidance literature:

With ammonium acetate; In ethanol; for 8h; Heating;

DOI:10.1080/00397919808005714

Reference yield:

3-phenyl-propionaldehyde (104-53-0) → Valeric acid, 3-amino-5-phenyl-(+/-)-3-Amino-5-phenylpentanoic acid (91247-38-0,147228-37-3,218278-62-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 83.5 percent / pyridine / 7 h / 100 °C

2: 88 percent / hydroxylamine hydrochloride, anhydrous sodium acetate / ethanol / 1.) reflux, 90 min, 2.) room temperature, 3 h

3: 89 percent / H₂ / 5percent palladium on carbon / acetic acid

With hydroxylamine hydrochloride; hydrogen; sodium acetate; palladium on activated charcoal; In pyridine; ethanol; acetic acid;

upstream raw materials:

3-hydroxyamino-5-phenylpentanoic acid

3-phenyl-propionaldehyde

malonic acid

5-phenyl-2(E)-pentenoic acid

Downstream raw materials:

methyl 3-amino-5-phenylpentanoate hydrochloride

methyl 3-(N-ethoxycarbonylacetylamino)-5-phenylpentanoate