3-Amino-N-(carboxycarbonyl)-L-alanine

Base Information

• Chemical Name: 3-Amino-N-(carboxycarbonyl)-L-alanine
• CAS No.: 61277-72-3
• Molecular Formula: C5H8N2O5
• Molecular Weight: 176.1274
• UNII: CS0AWD2ICJ
• DSSTox Substance ID: DTXSID50976766
• Nikkaji Number: J696.414A
• Wikidata: Q27275726
• Mol file: 61277-72-3.mol

Synonyms:3-Amino-N-(carboxycarbonyl)-L-alanine;61277-72-3;L-Alanine, 3-amino-N-(carboxycarbonyl)-;CS0AWD2ICJ;UNII-CS0AWD2ICJ;alpha-ODAP;3-Amino-N-oxaloalanine;DTXSID50976766;2-N-OXALYL-L-2,3-DIAMINOPROPIONIC ACID;Q27275726;.ALPHA.-N-OXALO-L-.ALPHA.,.BETA.-DIAMINOPROPIONIC ACID

Chemical Property of 3-Amino-N-(carboxycarbonyl)-L-alanine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 129.72000
• Density: 1.596g/cm³
• LogP: -1.30970
• XLogP3: -4.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 176.04332136
• Heavy Atom Count: 12
• Complexity: 214

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(=O)O)NC(=O)C(=O)O)N
• Isomeric SMILES: C([C@@H](C(=O)O)NC(=O)C(=O)O)N

Technology Process of 3-Amino-N-(carboxycarbonyl)-L-alanine

There total 3 articles about 3-Amino-N-(carboxycarbonyl)-L-alanine 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:

L-3-Benzyloxycarbonylamino-2-oxalylamino-propionsaeure → α-N-oxalyl-L-α,β-diaminopropionic acid (61277-72-3)

Guidance literature:

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

DOI:10.1016/0031-9422(76)85088-1

Reference yield:

(S)-2,3-diaminopropanoic acid hydrochloride (1482-97-9) + oxalic acid diethyl ester (95-92-1) → α-N-oxalyl-L-α,β-diaminopropionic acid (61277-72-3)

Guidance literature:

With lithium hydroxide; In ethanol; water;

DOI:10.1016/S0031-9422(00)94362-0

Reference yield:

b-oxalylamino-L-alanine (5302-45-4) → α-N-oxalyl-L-α,β-diaminopropionic acid (61277-72-3)

Guidance literature:

In water-d2; at 55 ℃; Mechanism; isomerization; also starting from α-N-oxalyl-L-α,β-diaminopropionic acid; other temperature; pH 2.3 and 6.6; higher homologues;

DOI:10.1016/0031-9422(93)85034-O

upstream raw materials:

(S)-2,3-diaminopropanoic acid hydrochloride

oxalic acid diethyl ester

b-oxalylamino-L-alanine

Refernces

• 1、 Wu,G. et al.. "-". . p. 1257 - 1259. Retrieved 1976.
• 2、 Abegaz, Berhanu M.,Nunn, Peter B.,Bruyn, Andre De,Lambein, Fernand. "THERMAL ISOMERIZATION OF N-OXALYL DERIVATIVES OF DIAMINO ACIDS". . p. 1121 - 1124. Retrieved 2007/10/02.