Acetamido(2-methyl-3-oxobutyl)propanedioic acid

Base Information

• Chemical Name: Acetamido(2-methyl-3-oxobutyl)propanedioic acid
• CAS No.: 91330-00-6
• Molecular Formula: C₁₀H₁₅NO₆
• Molecular Weight: 245.232
• NSC Number: 37240
• DSSTox Substance ID: DTXSID80284442
• Mol file: 91330-00-6.mol

Synonyms:91330-00-6;NSC37240;Acetamido(2-methyl-3-oxobutyl)propanedioic acid;DTXSID80284442;NSC-37240

Chemical Property of Acetamido(2-methyl-3-oxobutyl)propanedioic acid

Chemical Property:

• Vapor Pressure: 5.71E-15mmHg at 25°C
• Boiling Point: 580.2°C at 760 mmHg
• Flash Point: 304.7°C
• Density: 1.316g/cm³
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 245.08993720
• Heavy Atom Count: 17
• Complexity: 348

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(C(=O)O)(C(=O)O)NC(=O)C)C(=O)C

Technology Process of Acetamido(2-methyl-3-oxobutyl)propanedioic acid

There total 3 articles about Acetamido(2-methyl-3-oxobutyl)propanedioic 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:

3-Methyl-3-buten-2-one (814-78-8,25988-32-3) → Acetamino-<3-oxo-2-methyl-butyl>-malonsaeure (91330-00-6)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOEt / ethanol

2: aq. NaOH

With sodium hydroxide; sodium ethanolate; In ethanol;

DOI:10.1021/jo01351a048

Reference yield:

2-acetylaminomalonic acid diethyl ester (1068-90-2) → Acetamino-<3-oxo-2-methyl-butyl>-malonsaeure (91330-00-6)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOEt / ethanol

2: aq. NaOH

With sodium hydroxide; sodium ethanolate; In ethanol;

DOI:10.1021/jo01351a048

Reference yield:

2-Acetamino-5-oxo-4-methyl-2-aethoxycarbonyl-hexansaeure-aethylester (92331-88-9) → Acetamino-<3-oxo-2-methyl-butyl>-malonsaeure (91330-00-6)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/jo01351a048

upstream raw materials:

2-Acetamino-5-oxo-4-methyl-2-aethoxycarbonyl-hexansaeure-aethylester

3-Methyl-3-buten-2-one

2-acetylaminomalonic acid diethyl ester

Downstream raw materials:

2-Acetamino-5-oxo-4-methyl-hexansaeure