4-[(4-Methylbenzene-1-sulfonyl)amino]cyclohexane-1-carboxylate

Base Information

• Chemical Name: 4-[(4-Methylbenzene-1-sulfonyl)amino]cyclohexane-1-carboxylate
• CAS No.: 314042-69-8
• Molecular Formula: C₁₄H₁₉NO₄S
• Molecular Weight: 297.375
• DSSTox Substance ID: DTXSID40953445
• Mol file: 314042-69-8.mol

Synonyms:DTXSID40953445;4-[(4-Methylbenzene-1-sulfonyl)amino]cyclohexane-1-carboxylate

Chemical Property of 4-[(4-Methylbenzene-1-sulfonyl)amino]cyclohexane-1-carboxylate

Chemical Property:

• Vapor Pressure: 1.83E-10mmHg at 25°C
• Boiling Point: 491.2°Cat760mmHg
• Flash Point: 250.8°C
• PSA: 91.85000
• Density: g/cm³
• LogP: 3.38840
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 296.09565423
• Heavy Atom Count: 20
• Complexity: 421

Purity/Quality:

98%min ^*data from raw suppliers

4-(Toluene-4-sulfonylamino)cyclohexane-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2CCC(CC2)C(=O)[O-]

Technology Process of 4-[(4-Methylbenzene-1-sulfonyl)amino]cyclohexane-1-carboxylate

There total 1 articles about 4-[(4-Methylbenzene-1-sulfonyl)amino]cyclohexane-1-carboxylate 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: 68.0%

cis-4-aminocyclohexane-1-carboxylic acid (3685-23-2) + p-toluenesulfonyl chloride (98-59-9) → cis-4-<<(methylphenyl)sulfonyl>amino>cyclohexanecarboxylic acid (87640-25-3,314042-69-8)

Guidance literature:

With sodium carbonate; In dichloromethane; water; at 5 - 60 ℃; for 1.5h;

DOI:10.1021/jm00367a022

Reference yield: 70.0%

cholesterol (57-88-5) + C14H19NO4S (314042-69-8) → C41H63NO4S

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 23 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.1c01232

upstream raw materials:

cis-4-aminocyclohexane-1-carboxylic acid

p-toluenesulfonyl chloride