2-(Propan-2-ylideneamino)oxybutanoic acid

Base Information

• Chemical Name: 2-(Propan-2-ylideneamino)oxybutanoic acid
• CAS No.: 5001-37-6
• Molecular Formula: C₇H₁₃NO₃
• Molecular Weight: 159.185
• European Community (EC) Number: 684-455-6
• NSC Number: 78396
• DSSTox Substance ID: DTXSID00291815
• Mol file: 5001-37-6.mol

Synonyms:5001-37-6;NSC 78396;2-(propan-2-ylideneamino)oxybutanoic acid;NSC78396;2-ISOPROPYLIDENEAMINOOXY-BUTYRIC ACID;NCIOpen2_000829;SCHEMBL15631239;DTXSID00291815;NSC-78396;AKOS024331709;Butyric acid, 2-[(isopropylideneamino)oxy]-

Chemical Property of 2-(Propan-2-ylideneamino)oxybutanoic acid

Chemical Property:

• Vapor Pressure: 0.00593mmHg at 25°C
• Boiling Point: 252.8°Cat760mmHg
• Flash Point: 106.7°C
• Density: 1.07g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 159.08954328
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Propan-2-ylideneamino)oxybutanoic acid

There total 1 articles about 2-(Propan-2-ylideneamino)oxybutanoic 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:

2-Bromobutyric acid (80-58-0) + acetone oxime (127-06-0) → 2-{[(1-methylethylidene)amino]oxy}-butanoic acid (5001-37-6)

Guidance literature:

DOI:10.1021/jm00321a050

Reference yield:

2-{[(1-methylethylidene)amino]oxy}-butanoic acid (5001-37-6) → 2-isopropylideneaminooxy-butyric acid methyl ester (5001-40-1)

Guidance literature:

(methylation);

DOI:10.1021/jm00321a050

Reference yield:

2-{[(1-methylethylidene)amino]oxy}-butanoic acid (5001-37-6) → propan-2-one O-(1-hydroxymethyl-propyl)-oxime (5001-43-4)

Guidance literature:

Multi-step reaction with 2 steps

1: (methylation)

2: LiAlH₄ / diethyl ether

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1021/jm00321a050

upstream raw materials:

2-Bromobutyric acid

acetone oxime

Downstream raw materials:

2-isopropylideneaminooxy-butyric acid methyl ester

propan-2-one O-(1-hydroxymethyl-propyl)-oxime