4-Chloro-2-methoxyimino-3-oxobutanoic acid

Base Information

• Chemical Name: 4-Chloro-2-methoxyimino-3-oxobutanoic acid
• CAS No.: 111230-59-2
• Molecular Formula: C5H6 Cl N O4
• Molecular Weight: 179.56
• DSSTox Substance ID: DTXSID70699581
• Mol file: 111230-59-2.mol

Synonyms:4-chloro-2-methoxyimino-3-oxobutanoic acid;111230-59-2;4-CHLORO-2-(METHOXYIMINO)-3-OXOBUTANOIC ACID;(Z)-4-CHLORO-2-METHOXYIMINO-3-OXOBUTANOIC ACID;DTXSID70699581;QWNGESOREPKWTG-UHFFFAOYSA-N;4-chloro-2-methoxyimino-3-oxobutyric acid;(Z)-4-Chloro-2-methoxyimino-3-oxobutanoicacid;A802326;4-chloranyl-2-methoxyimino-3-oxidanylidene-butanoic acid

Chemical Property of 4-Chloro-2-methoxyimino-3-oxobutanoic acid

Chemical Property:

• Melting Point: 91-93 °C
• Boiling Point: 290.9±42.0 °C(Predicted)
• PKA: 2.24±0.41(Predicted)
• PSA: 75.96000
• Density: 1.44±0.1 g/cm3(Predicted)
• LogP: -0.11870
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 178.9985354
• Heavy Atom Count: 11
• Complexity: 201

Purity/Quality:

97% ^*data from raw suppliers

(Z)-4-Chloro-2-(methoxyimino)-3-oxobutanoic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CON=C(C(=O)CCl)C(=O)O

Technology Process of 4-Chloro-2-methoxyimino-3-oxobutanoic acid

There total 3 articles about 4-Chloro-2-methoxyimino-3-oxobutanoic 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: 75.1%

→ 4-chloro-2-methoxyimino-3-oxo-butyric acid (111230-59-2)

Guidance literature:

Reference yield: 71.3%

2-Methoxyiminoacetoacetic acid-tert-butyl ester (79232-65-8) → 4-chloro-2-methoxyimino-3-oxo-butyric acid (111230-59-2)

Guidance literature:

With chlorine; In hexane; di-isopropyl ether; water;

Reference yield:

(Z)-2-methoxyimino-3-oxo-butyric acid (77361-12-7) → 4-chloro-2-methoxyimino-3-oxo-butyric acid (111230-59-2)

Guidance literature:

With sodium hydroxide; chloro-trimethyl-silane; sulfuryl dichloride; triethylamine; In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene; nitrogen; water; acetonitrile;

upstream raw materials:

2-Methoxyiminoacetoacetic acid-tert-butyl ester

(Z)-2-methoxyimino-3-oxo-butyric acid

Downstream raw materials:

ceftiofur

cefotaxime

Ceftriaxone