2,6-Bis(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-methylphenyl)sulfonyl]oxime]

Base Information

• Chemical Name: 2,6-Bis(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-methylphenyl)sulfonyl]oxime]
• CAS No.: 55488-20-5
• Molecular Formula: C₁₉H₂₃NO₄S
• Molecular Weight: 361.462
• DSSTox Substance ID: DTXSID601123148
• Mol file: 55488-20-5.mol

Synonyms:DTXSID601123148;AKOS002262171;2,6-Bis(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-methylphenyl)sulfonyl]oxime];55488-20-5;Z56753870

Chemical Property of 2,6-Bis(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-methylphenyl)sulfonyl]oxime]

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 361.13477939
• Heavy Atom Count: 25
• Complexity: 670

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)ON=C2C=C(C(=O)C(=C2)C(C)C)C(C)C

Technology Process of 2,6-Bis(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-methylphenyl)sulfonyl]oxime]

There total 1 articles about 2,6-Bis(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-methylphenyl)sulfonyl]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: 56.0%

2,6-diisopropyl-4-hydroxyiminocyclohexa-2,5-dien-1-one (15206-39-0) + p-toluenesulfonyl chloride (98-59-9) → C19H23NO4S (55488-20-5)

Guidance literature:

With triethylamine; In diethyl ether;

DOI:10.1023/A:1012403708255

Reference yield: 42.0%

C19H23NO4S (55488-20-5) → C19H23Br2NO4S

Guidance literature:

With bromine; In N,N-dimethyl-formamide; at 50 - 60 ℃;

DOI:10.1023/A:1012403708255

Reference yield: 40.0%

C19H23NO4S (55488-20-5) → C19H23Cl2NO4S

Guidance literature:

With chlorine; In N,N-dimethyl-formamide; at 60 - 70 ℃;

DOI:10.1023/A:1012403708255

upstream raw materials:

2,6-diisopropyl-4-hydroxyiminocyclohexa-2,5-dien-1-one

p-toluenesulfonyl chloride