Methyl 2-amino-3-oxobutanoate

Base Information

• Chemical Name: Methyl 2-amino-3-oxobutanoate
• CAS No.: 68277-01-0
• Molecular Formula: C5H9NO3
• Molecular Weight: 131.13
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID20476541
• Nikkaji Number: J1.784.976J
• Mol file: 68277-01-0.mol

Synonyms:Methyl 2-amino-3-oxobutanoate;68277-01-0;Butanoic acid, 2-amino-3-oxo-, methyl ester;Methyl2-amino-3-oxobutanoate;methyl 2-amino-3-oxo-butanoate;2-amino-3-oxo-butyric acid methyl ester;SCHEMBL2930776;DTXSID20476541;JJJKPDCCZFMOJD-UHFFFAOYSA-N;AKOS006329438;methyl 3-methyl-amino-3-oxopropionate;FT-0650601;EN300-95873;A836070

Chemical Property of Methyl 2-amino-3-oxobutanoate

Chemical Property:

• Vapor Pressure: 1.692mmHg at 25°C
• Melting Point: 85-86 °C
• Refractive Index: 1.44
• Boiling Point: 167.5 °C at 760 mmHg
• PKA: 14.17±0.59(Predicted)
• Flash Point: 51.4 °C
• PSA: 69.39000
• Density: 1.133 g/cm³
• LogP: -0.22400
• Storage Temp.: 2-8°C
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 131.058243149
• Heavy Atom Count: 9
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

Methyl2-amino-3-oxobutanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(C(=O)OC)N

Technology Process of Methyl 2-amino-3-oxobutanoate

There total 5 articles about Methyl 2-amino-3-oxobutanoate 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:

methyl 2-nitro-acetoacetate (29291-62-1) → 2-amino-3-oxo-butyric acid methyl ester (68277-01-0)

Guidance literature:

With nitric acid; acetic anhydride; zinc; at 80 ℃; pH=3; Concentration; Reflux;

Reference yield:

methyl 3-oxo-2-oximinobutanoate (73708-95-9) → 2-amino-3-oxo-butyric acid methyl ester (68277-01-0)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; Ambient temperature;

Reference yield:

acetoacetic acid methyl ester (105-45-3) → 2-amino-3-oxo-butyric acid methyl ester (68277-01-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaNO₂, AcOH

2: H₂, HCl / Pd-C / ethanol / Ambient temperature

With hydrogenchloride; hydrogen; acetic acid; sodium nitrite; palladium on activated charcoal; In ethanol;

upstream raw materials:

methyl 3-oxo-2-oximinobutanoate

5-Methyloxazol-4-carbonsaeure-methylester

C₁₀H₁₇NO₅

acetoacetic acid methyl ester

Downstream raw materials:

methyl 2-((S)-2-(tert-butoxycarbonylamino)-3-phenylpropanamido)-3-oxobutanoate

2-(3-benzyloxycarbonylamino-2-tert-butoxycarbonylamino-propionylamino)-3-oxo-butyric acid methyl ester

methyl 2-acetamido-3-oxobutanoate

C₇H₁₁NO₅