5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate

Base Information

• Chemical Name: 5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate
• CAS No.: 93157-15-4
• Molecular Formula: C16H24 O3 S
• Molecular Weight: 296.431
• NSC Number: 142297
• DSSTox Substance ID: DTXSID00301307
• Mol file: 93157-15-4.mol

Synonyms:93157-15-4;5-methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate;NSC142297;SCHEMBL20211610;DTXSID00301307;NSC-142297

Chemical Property of 5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate

Chemical Property:

• Vapor Pressure: 3.77E-06mmHg at 25°C
• Boiling Point: 396.9°C at 760 mmHg
• Flash Point: 193.8°C
• Density: 1.12g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 296.14461580
• Heavy Atom Count: 20
• Complexity: 390

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(C(C1)OS(=O)(=O)C2=CC=CC=C2)C(C)C

Technology Process of 5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate

There total 5 articles about 5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate 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: 95.0%

(-)-menthol (2216-51-5) + 1-(benzenesulfonyl)-3-methylimidazolium triflate (142841-88-1) → (-)-menthyl benzenesulfonate (93157-15-4,6129-91-5)

Guidance literature:

With 1-methyl-1H-imidazole; In tetrahydrofuran; for 24h; 0 deg C to RT;

DOI:10.1021/jo00043a046

Reference yield: 65.0%

(-)-menthol (2216-51-5) + benzenesulfonyl chloride (98-09-9) → (-)-menthyl benzenesulfonate (93157-15-4,6129-91-5)

Guidance literature:

With zinc oxide-nanoparticle; at 50 ℃; for 8h; chemoselective reaction; Neat (no solvent);

DOI:10.1016/j.molcata.2011.09.010

Reference yield: 46.0%

tert-Butylacetic acid (1070-83-3) + menthol (89-78-1) + benzenesulfonyl chloride (98-09-9) → menthylbenzenesulphonate (93157-15-4) + menthyl-3,3'-dimethylbutanoate (101433-94-7)

Guidance literature:

With pyridine; Ambient temperature;

upstream raw materials:

menthol

benzenesulfonyl chloride

tert-Butylacetic acid

(-)-menthol

Downstream raw materials:

2-menthene

3-p-menthene

Menthane

benzenesulfonic acid