2-[(2-Azaniumylacetyl)amino]-3-phenylpropanoate

Base Information

• Chemical Name: 2-[(2-Azaniumylacetyl)amino]-3-phenylpropanoate
• CAS No.: 721-66-4
• Molecular Formula: C₁₁H₁₄N₂O₃
• Molecular Weight: 222.244
• Hs Code.: 2924299090
• Mol file: 721-66-4.mol

Synonyms:AKOS037495262

Chemical Property of 2-[(2-Azaniumylacetyl)amino]-3-phenylpropanoate

Chemical Property:

• Melting Point: 273-275℃ (Decomposition)
• Boiling Point: 492.2 °C at 760 mmHg
• PKA: 3.28±0.10(Predicted)
• Flash Point: 251.5 °C
• PSA: 92.42000
• Density: 1.259 g/cm³
• LogP: 0.84840
• Storage Temp.: −20°C
• Solubility.: DMSO (Slightly, Heated), Water (Slightly, Sonicated)
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 222.10044231
• Heavy Atom Count: 16
• Complexity: 244

Purity/Quality:

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

Glycyl-DL-phenylalanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)C[NH3+]

Technology Process of 2-[(2-Azaniumylacetyl)amino]-3-phenylpropanoate

There total 18 articles about 2-[(2-Azaniumylacetyl)amino]-3-phenylpropanoate 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:

Z-Gly-DL-Phe (5540-03-4) → glycylphenylalanine (721-66-4,104010-46-0)

Guidance literature:

With nitromethane; hydrogen bromide;

DOI:10.1021/ja01117a053

Reference yield:

→ glycylphenylalanine (721-66-4,104010-46-0)

Guidance literature:

With nitromethane; hydrogen bromide;

DOI:10.1021/ja01574a029

Reference yield:

→ glycylphenylalanine (721-66-4,104010-46-0)

Guidance literature:

With hydrogen bromide; acetic acid;

DOI:10.1021/ja01574a029

upstream raw materials:

2-thioxo-thiazolidin-5-one

Phenylalanine

N-chloroacetyl-DL-phenylalanine

N-glycyl-phenylalanine ethyl ester

Downstream raw materials:

N-hippuroyl-3-phenyl-alanine

3-benzyl-piperazine-2,5-dione

N-(N-methacryloyl-glycyl)-phenylalanine

protected dipeptide

Refernces

• 1、 Losse,Madlung,Lorenz. "Peptide synthesis in solid phase in the phenol-formaldehyde-resin". . p. 1257 - 1262. Retrieved 2007/10/05.
• 2、 WEYGAND,STEGLICH. "Decarbobenzoxylation of amino acids and derivatives with water-free trifluoroacetic acid.". . p. 472 - 473. Retrieved 2007/11/09.