CID 105228

Base Information

• Chemical Name: CID 105228
• CAS No.: 65894-76-0
• Molecular Formula: C₁₂H₁₃NO₄
• Molecular Weight: 235.24
• Mol file: 65894-76-0.mol

Synonyms:FT-0773147

Chemical Property of CID 105228

Chemical Property:

• Vapor Pressure: 0.000275mmHg at 25°C
• Refractive Index: 1.512
• Boiling Point: 322.7 °C at 760 mmHg
• Flash Point: 136.7 °C
• PSA: 64.96000
• Density: 1.13 g/cm³
• LogP: 2.41830
• Water Solubility.: 128mg/L at 20℃
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 235.08445790
• Heavy Atom Count: 17
• Complexity: 306

Purity/Quality:

99.9% ^*data from raw suppliers

1-Phenyl-1,2-propanedione-2-(O-ethoxycarboxy)oxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)ON=C(C)C(=O)C1=CC=CC=C1

Technology Process of CID 105228

There total 1 articles about CID 105228 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: 93.6%

chloroformic acid ethyl ester (541-41-3) + 1-phenyl-1,2-propanedione 2-oxime (119-51-7) → 1-phenyl-1,2-propanedione-2-(o-ethoxycarboxy)oxime (65894-76-0)

Guidance literature:

With triethylamine; In dichloromethane; at 5 - 10 ℃; for 2h; Reagent/catalyst; Solvent; Autoclave; Large scale;

upstream raw materials:

chloroformic acid ethyl ester

1-phenyl-1,2-propanedione 2-oxime

Refernces