Pyruvic acid, oxime

Base Information

• Chemical Name: Pyruvic acid, oxime
• CAS No.: 5447-36-9
• Molecular Formula: C10H11NO5
• Molecular Weight: 225.201
• Hs Code.: 2928000090
• NSC Number: 16943
• DSSTox Substance ID: DTXSID70423222
• Mol file: 5447-36-9.mol

Synonyms:NSC16943;5447-36-9;Pyruvic acid, oxime;Pyruvic acid, 2-oxime;Pyruvic acid, (4-hydroxy-3-methoxyphenyl)-, 2-oxime;DTXSID70423222;NSC-16943

Chemical Property of Pyruvic acid, oxime

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 499.6°Cat760mmHg
• Flash Point: 256°C
• PSA: 99.35000
• Density: 1.36g/cm³
• LogP: 0.85810
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 225.06372245
• Heavy Atom Count: 16
• Complexity: 278

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)CC(=NO)C(=O)O)O
• Isomeric SMILES: COC1=C(C=CC(=C1)C/C(=N/O)/C(=O)O)O

Technology Process of Pyruvic acid, oxime

There total 2 articles about Pyruvic acid, oxime 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-(4-hydroxy-3-methoxy-phenyl)-2-thioxo-propionic acid (5438-45-9) → 2-hydroxyimino-3-(4-hydroxy-3-methoxy-phenyl)-propionic acid (5447-36-9)

Guidance literature:

With hydroxylamine;

DOI:10.1039/jr9500001795

Reference yield:

→ 2-hydroxyimino-3-(4-hydroxy-3-methoxy-phenyl)-propionic acid (5447-36-9)

Guidance literature:

/BRN= 942330/, alkohol. NH2OH;

Reference yield: 82.0%

2-hydroxyimino-3-(4-hydroxy-3-methoxy-phenyl)-propionic acid (5447-36-9) → 4-hydroxy-3-methoxyphenylacetonitrile (4468-59-1)

Guidance literature:

With 1,1'-oxalyldiimidazole; In benzene; 1.) r.t., 15 min, 2.) 68-70 deg C, 1 h;

DOI:10.1248/cpb.39.187

upstream raw materials:

3-(4-hydroxy-3-methoxy-phenyl)-2-thioxo-propionic acid

Downstream raw materials:

3-methoxy-DL-tyrosine

4-hydroxy-3-methoxyphenylacetonitrile