6-Oxocyclohex-1-en-1-yl 4-methylbenzene-1-sulfonate

Base Information

• Chemical Name: 6-Oxocyclohex-1-en-1-yl 4-methylbenzene-1-sulfonate
• CAS No.: 70871-43-1
• Molecular Formula: C13H14O4S
• Molecular Weight: 266.318
• DSSTox Substance ID: DTXSID40499590
• Wikidata: Q82350509
• Mol file: 70871-43-1.mol

Synonyms:70871-43-1;6-Oxocyclohex-1-en-1-yl 4-methylbenzene-1-sulfonate;DTXSID40499590

Chemical Property of 6-Oxocyclohex-1-en-1-yl 4-methylbenzene-1-sulfonate

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 266.06128010
• Heavy Atom Count: 18
• Complexity: 436

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CCCCC2=O

Technology Process of 6-Oxocyclohex-1-en-1-yl 4-methylbenzene-1-sulfonate

There total 2 articles about 6-Oxocyclohex-1-en-1-yl 4-methylbenzene-1-sulfonate 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: 90.0%

2-hydroxy-2-cyclohexen-1-one (10316-66-2) + p-toluenesulfonyl chloride (98-59-9) → 2-toluenesulfonyloxy-2-cyclohexenone (70871-43-1)

Guidance literature:

With potassium carbonate; In acetone; for 18h; Heating;

DOI:10.1016/0040-4039(88)80019-4

Reference yield: 60.0%

cyclohexane-1,2-dione (765-87-7) + p-toluenesulfonyl chloride (98-59-9) → 2-toluenesulfonyloxy-2-cyclohexenone (70871-43-1)

Guidance literature:

With potassium carbonate; In acetone; for 24h; Ambient temperature;

DOI:10.1021/jo00187a011

Reference yield: 45.0%

2-toluenesulfonyloxy-2-cyclohexenone (70871-43-1) → benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); potassium carbonate; In acetone; for 4h; Heating;

DOI:10.1016/0040-4039(88)80019-4

upstream raw materials:

cyclohexane-1,2-dione

p-toluenesulfonyl chloride

2-hydroxy-2-cyclohexen-1-one

Downstream raw materials:

benzene-1,2-diol

2-hydroxy-3-methyl-2-cyclohexen-1-one

2-hydroxy-3-phenyl-2-cyclohexen-1-one

3-ethyl-2-hydroxy-2-cyclohexenone