3-Methyl-2-[methyl(nitroso)amino]butanoic acid

Base Information

• Chemical Name: 3-Methyl-2-[methyl(nitroso)amino]butanoic acid
• CAS No.: 53358-08-0
• Molecular Formula: C₆H₁₂N₂O₃
• Molecular Weight: 160.173
• NSC Number: 142290
• DSSTox Substance ID: DTXSID40301306

Synonyms:53358-08-0;3-methyl-2-[methyl(nitroso)amino]butanoic acid;NSC142290;DTXSID40301306;NSC-142290

Chemical Property of 3-Methyl-2-[methyl(nitroso)amino]butanoic acid

Chemical Property:

• Vapor Pressure: 4.47E-05mmHg at 25°C
• Boiling Point: 326°C at 760 mmHg
• Flash Point: 150.9°C
• Density: 1.19g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 160.08479225
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Methyl-2-[methyl(nitroso)amino]butanoic acid

There total 3 articles about 3-Methyl-2-[methyl(nitroso)amino]butanoic 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:

N-methyl-L-valine (2480-23-1) → N-Nitroso-N-methyl-L-valin (53358-08-0)

Guidance literature:

With isopentyl nitrite; In acetic acid;

DOI:10.1002/hlca.19640470122

Reference yield:

1,6-Dideoxy-1,6-bis-methylnitrosamino-D-mannit (92379-78-7) → N-Nitroso-N-methyl-valin (53358-08-0)

Guidance literature:

With hydrogenchloride; sodium nitrite;

DOI:10.1039/jr9630000846

Reference yield:

N-methylvaline (2480-23-1,88930-14-7,2566-32-7) → N-Nitroso-N-methyl-valin (53358-08-0)

Guidance literature:

DOI:10.1039/jr9570004409

upstream raw materials:

N-methylvaline

1,6-Dideoxy-1,6-bis-methylnitrosamino-D-mannit

N-methyl-L-valine

Downstream raw materials:

N-Nitroso-N-methyl-L-valyl-D-α-oxy-isovaleriansaeure-benzylester

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