2-Amino-4-oxobutanoic acid

Base Information

• Chemical Name: 2-Amino-4-oxobutanoic acid
• CAS No.: 15106-57-7
• Molecular Formula: C4H7NO3
• Molecular Weight: 117.104
• DSSTox Substance ID: DTXSID10934160
• Nikkaji Number: J2.359.948A
• Wikidata: Q110080307
• Mol file: 15106-57-7.mol

Synonyms:2-amino-4-oxobutyric acid;3-formyl-L-alanine;aspartaldehyde;aspartate semialdehyde;aspartic acid beta-semialdehyde;aspartic beta semialdehyde;aspartic semialdehyde;aspartic semialdehyde, (+-)-isomer;aspartic semialdehyde, (R)-isomer;aspartic semialdehyde, (S)-isomer

Chemical Property of 2-Amino-4-oxobutanoic acid

Chemical Property:

• Vapor Pressure: 0.000468mmHg at 25°C
• Refractive Index: 1.482
• Boiling Point: 291.9 °C at 760 mmHg
• PKA: 2.43±0.10(Predicted)
• Flash Point: 130.4 °C
• PSA: 80.39000
• Density: 1.293 g/cm³
• LogP: -0.31240
• XLogP3: -3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 117.042593085
• Heavy Atom Count: 8
• Complexity: 102

Purity/Quality:

97% ^*data from raw suppliers

2-AMINO-4-OXOBUTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C=O)C(C(=O)O)N

Technology Process of 2-Amino-4-oxobutanoic acid

There total 7 articles about 2-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: 100.0%

(E)-(S)-2-Amino-4-methoxy-but-3-enoic acid (57820-74-3) → (S)-aspartate β-semialdehyde (498-20-4,2338-03-6,15106-57-7,23632-91-9)

Guidance literature:

With hydrogenchloride; at 4 ℃; for 24h;

DOI:10.1016/0040-4020(96)00330-4

Reference yield:

L-methionine (63-68-3,26062-47-5,58576-49-1) → L-homoserine (672-15-1,119736-88-8) + L-Aspartic acid (56-84-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) + L-methionine sulfoxide (3226-65-1,86631-49-4,779988-65-7) + L-methionine sulfone (7314-32-1,1118-85-0) + (S)-aspartate β-semialdehyde (498-20-4,2338-03-6,15106-57-7,23632-91-9) + L-homocysteic acid (14857-77-3,1001-13-4)

Guidance literature:

With hydrogen; oxygen; In water; Product distribution; various sulfur-containing amino acids under different reaction conditions;

DOI:10.1271/bbb.62.643

Reference yield:

DL-aspartate β-semialdehyde (15106-57-7) → (S)-aspartate β-semialdehyde (498-20-4,2338-03-6,15106-57-7,23632-91-9)

Guidance literature:

With dihydrodipicolinate reductase; dihydrodipicolinate synthase from Escherichia coli; piruvate; NADH; In aq. buffer; at 22 ℃; for 0.0833333h; pH=8; pH-value; Solvent; Resolution of racemate; Enzymatic reaction;

DOI:10.1016/j.abb.2018.06.011

upstream raw materials:

(S)-N-Cbz-aspartic acid semialdehyde

(E)-(S)-2-Amino-4-methoxy-but-3-enoic acid

L-methionine

tert-butyl (2S)-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoate

Downstream raw materials:

DL-Homoserine

lactate anion

(S)-aspartate β-semialdehyde