2-Amino-3-(4-aminophenyl)propanoic acid

Base Information

• Chemical Name: 2-Amino-3-(4-aminophenyl)propanoic acid
• CAS No.: 2922-41-0
• Molecular Formula: C9H12 N2 O2
• Molecular Weight: 180.206
• Hs Code.: 2922499990
• European Community (EC) Number: 220-869-1
• NSC Number: 29446,21918
• DSSTox Substance ID: DTXSID201313036
• Nikkaji Number: J598.198K
• Wikidata: Q104965167
• Metabolomics Workbench ID: 44373
• Mol file: 2922-41-0.mol

Synonyms:4-aminophenylalanine;4-aminophenylalanine, (D)-isomer, 14C and 15N-labeled;4-aminophenylalanine, (DL)-isomer;4-aminophenylalanine, (L)-isomer;4-aminophenylalanine, (L)-isomer, 14C and 15N-labeled;p-aminophenylalanine;para-aminophenylalanine

Chemical Property of 2-Amino-3-(4-aminophenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 1.44E-06mmHg at 25°C
• Melting Point: 255-258oC (dec.)(lit.)
• Boiling Point: 383.5°Cat760mmHg
• Flash Point: 185.8°C
• PSA: 89.34000
• Density: 1.289g/cm³
• LogP: 1.50470
• Storage Temp.: -15°C
• Water Solubility.: Soluble in water
• XLogP3: -2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 180.089877630
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

99%, ^*data from raw suppliers

4-Amino-DL-phenylalanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)N

Technology Process of 2-Amino-3-(4-aminophenyl)propanoic acid

There total 18 articles about 2-Amino-3-(4-aminophenyl)propanoic 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:

2-acetylamino-2-(4-nitrobenzyl)malonic acid diethyl ester (6265-87-8) → (p-aminophenyl)alanine (2922-41-0)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated aqueous HBr; acetic acid

2: palladium/BaSO₄; H₂O / Hydrogenation

With Pd-BaSO₄; water; hydrogen bromide; acetic acid;

DOI:10.1021/jo01117a009

Reference yield:

4-nitrophenylalanine (1991-83-9,2922-40-9,56613-61-7,949-99-5) → (p-aminophenyl)alanine (2922-41-0)

Guidance literature:

With Pd-BaSO₄; water; Hydrogenation;

DOI:10.1021/ja01139a504 DOI:10.1021/jo01117a009

Reference yield:

(Z)-2-phenyl-4-(4-nitrobenzylidene)-(4H)-1,3-oxazol-5-one (7152-75-2,57427-80-2,57427-96-0) → (p-aminophenyl)alanine (2922-41-0)

Guidance literature:

With phosphorus; hydrogen iodide; acetic acid;

DOI:10.1021/ja01139a504

upstream raw materials:

4-nitrophenylalanine

N-acetyl-4-acetylamino-phenylalanine

4-amino-N-benzoyl-DL-phenylalanine ethyl ester

(Z)-2-phenyl-4-(4-nitrobenzylidene)-(4H)-1,3-oxazol-5-one

Downstream raw materials:

?Tyr

2-hydroxy-3-(4-hydroxyphenyl)propanoic acid

N-benzyloxycarbonyl-4-benzyloxycarbonylamino-phenylalanine

p-aminophenylalanine methyl ester

Refernces

• 1、 -. "Immunomodulatory peptides". . . Retrieved 2014/12/12.