3'-ketohexobarbital

Base Information

• Chemical Name: 3'-ketohexobarbital
• CAS No.: 427-30-5
• Molecular Formula: C₁₂H₁₄N₂O₄
• Molecular Weight: 250.254
• Hs Code.: 2933540000
• Mol file: 427-30-5.mol

Synonyms:Barbituricacid, 1,5-dimethyl-5-(3-oxo-1-cyclohexen-1-yl)- (6CI,7CI,8CI); 3'-Ketohexobarbital;3'-Ketohexobarbitone; 3'-Oxohexobarbital; Ketoevipan

Chemical Property of 3'-ketohexobarbital

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 87.04000
• Density: 1.321g/cm³
• LogP: 0.59410

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3'-ketohexobarbital

There total 7 articles about 3'-ketohexobarbital 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:

1,5-Dimethyl-5-<3-hydroxy-cyclohexen-(1)-yl>-barbitursaeure (427-29-2) → 3'-Ketohexobarbital (427-30-5)

Guidance literature:

With chromium(VI) oxide; acetic acid;

Reference yield:

→ 1,5-dimethyl-5-(6-oxo-cyclohex-1-enyl)-barbituric acid (817631-14-4) + 3'-Ketohexobarbital (427-30-5)

Guidance literature:

With chromium(VI) oxide; acetic anhydride;

Reference yield:

Norhexobarbital (718-67-2,114833-89-5) → 3'-Ketohexobarbital (427-30-5)

Guidance literature:

Multi-step reaction with 2 steps

1: CrO₃; acetic acid anhydride

2: aqueous NaOH

With chromium(VI) oxide; sodium hydroxide; acetic anhydride;

upstream raw materials:

5-methyl-5-(3-oxo-cyclohex-1-enyl)-pyrimidine-2,4,6-trione

dimethyl sulfate

1,5-Dimethyl-5-<3-hydroxy-cyclohexen-(1)-yl>-barbitursaeure

Norhexobarbital

Downstream raw materials:

1,5-Dimethyl-5-<3-hydroxy-cyclohexen-(1)-yl>-barbitursaeure

5-(3-hydroxy-phenyl)-1,5-dimethyl-barbituric acid

Refernces