(Sec-butylamino)(oxo)acetic acid

Base Information

• Chemical Name: (Sec-butylamino)(oxo)acetic acid
• CAS No.: 80638-53-5
• Molecular Formula: C6H11NO3
• Molecular Weight: 145.16
• DSSTox Substance ID: DTXSID20583002
• Mol file: 80638-53-5.mol

Synonyms:(sec-butylamino)(oxo)acetic acid;80638-53-5;2-(sec-Butylamino)-2-oxoacetic acid;2-(butan-2-ylamino)-2-oxoacetic acid;[(butan-2-yl)carbamoyl]formic acid;Carbasalatecalcium;Oxamic Acid/Ester, 31;SCHEMBL24192977;BDBM93313;DTXSID20583002;2-(sec-Butylamino)-2-oxoaceticacid;MFCD09971254;[(Butan-2-yl)amino](oxo)acetic acid;AKOS005172240;VS-00634;CS-0313876

Chemical Property of (Sec-butylamino)(oxo)acetic acid

Chemical Property:

• PSA: 66.40000
• Density: 1.129g/cm³
• LogP: 0.37660
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 145.07389321
• Heavy Atom Count: 10
• Complexity: 144

Purity/Quality:

98%min ^*data from raw suppliers

(sec-Butylamino)(oxo)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (Sec-butylamino)(oxo)acetic acid

There total 2 articles about (Sec-butylamino)(oxo)acetic 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:

ethyl N-sec-butyloxamate (343865-68-9) → 1-methylpropyloxamic acid (80638-53-5)

Guidance literature:

With water; sodium hydroxide; In toluene; at 40 - 45 ℃;

DOI:10.1021/jf801311h

Reference yield:

SEC-BUTYLAMINE (33966-50-6) + oxalic acid (144-62-7,97993-78-7) → 1-methylpropyloxamic acid (80638-53-5)

Guidance literature:

at 180 ℃;

Reference yield: 57.0%

4-Bromo-1-(bromomethyl)-2-(p-chlorophenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile (143210-04-2) + 1-methylpropyloxamic acid (80638-53-5) → C19H16BrClF3N3O3 (1040762-77-3)

Guidance literature:

1-methylpropyloxamic acid; With sodium hydroxide; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

4-Bromo-1-(bromomethyl)-2-(p-chlorophenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/jf801311h

upstream raw materials:

SEC-BUTYLAMINE

oxalic acid

ethyl N-sec-butyloxamate

Downstream raw materials:

C₁₉H₁₆BrClF₃N₃O₃