(S)-4-Amino-2-((ethoxycarbonyl)amino)-4-oxobutanoic acid

Base Information

• Chemical Name: (S)-4-Amino-2-((ethoxycarbonyl)amino)-4-oxobutanoic acid
• CAS No.: 16639-91-1
• Molecular Formula: C₇H₁₂N₂O₅
• Molecular Weight: 204.183
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID80427372
• Nikkaji Number: J2.120.520F
• Wikidata: Q82240029
• Mol file: 16639-91-1.mol

Synonyms:16639-91-1;(S)-4-Amino-2-((ethoxycarbonyl)amino)-4-oxobutanoic acid;L-Asparagine, N2-(ethoxycarbonyl)-;N(ALPHA)-ETHOXYCARBONYL-L-ASPARAGINE;EOC-L-ASPARAGINE;(2S)-4-amino-2-(ethoxycarbonylamino)-4-oxobutanoic acid;N~2~-(Ethoxycarbonyl)-L-asparagine;N(a)ethoxycarbonyl-l-asparagine;DTXSID80427372;L-Asparagine,N2-(ethoxycarbonyl)-;AKOS010367270;N( alpha )-Ethoxycarbonyl-L-asparagine;AS-62024;E83123;A882328;(S)-4-amino-2-(ethoxycarbonylamino)-4-oxobutanoic acid;(2S)-3-CARBAMOYL-2-[(ETHOXYCARBONYL)AMINO]PROPANOIC ACID;N(alpha)-Carbethoxy-L-asparagine~N(alpha)-Carboethoxy-L-asparagine

Chemical Property of (S)-4-Amino-2-((ethoxycarbonyl)amino)-4-oxobutanoic acid

Chemical Property:

• Vapor Pressure: 2.33E-11mmHg at 25°C
• Melting Point: 166ºC (dec.)
• Boiling Point: 500.1 ºC at 760 mmHg
• PKA: 3.47±0.10(Predicted)
• Flash Point: 256.2 ºC
• PSA: 118.72000
• Density: 1.341 g/cm³
• LogP: 0.15230
• Storage Temp.: 2-8°C
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 204.07462149
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

97% ^*data from raw suppliers

(S)-4-Amino-2-((ethoxycarbonyl)amino)-4-oxobutanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (S)-4-Amino-2-((ethoxycarbonyl)amino)-4-oxobutanoic acid

There total 1 articles about (S)-4-Amino-2-((ethoxycarbonyl)amino)-4-oxobutanoic 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:

L-asparagine (70-47-3,28088-48-4,7006-34-0) + chloroformic acid ethyl ester (541-41-3) → N2-ethoxycarbonyl-asparagine (16639-91-1)

Guidance literature:

With sodium hydroxide; sodium carbonate; ethoxycarbonyl-l-asparagine;

upstream raw materials:

L-asparagine

chloroformic acid ethyl ester