2-(2,3,4-Trimethoxyphenyl)cycloheptyl methanesulfonate

Base Information

• Chemical Name: 2-(2,3,4-Trimethoxyphenyl)cycloheptyl methanesulfonate
• CAS No.: 16958-54-6
• Molecular Formula: C₁₇H₂₆O₆S
• Molecular Weight: 358.456
• NSC Number: 116868,91061
• DSSTox Substance ID: DTXSID50293627
• Mol file: 16958-54-6.mol

Synonyms:16958-54-6;NSC91061;2-(2,3,4-trimethoxyphenyl)cycloheptyl methanesulfonate;DTXSID50293627;NSC-91061;NSC116868;NSC-116868

Chemical Property of 2-(2,3,4-Trimethoxyphenyl)cycloheptyl methanesulfonate

Chemical Property:

• Vapor Pressure: 2.64E-09mmHg at 25°C
• Refractive Index: 1.53
• Boiling Point: 490.9°Cat760mmHg
• Flash Point: 250.7°C
• Density: 1.21g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 358.14500972
• Heavy Atom Count: 24
• Complexity: 474

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)C2CCCCCC2OS(=O)(=O)C)OC)OC

Technology Process of 2-(2,3,4-Trimethoxyphenyl)cycloheptyl methanesulfonate

There total 1 articles about 2-(2,3,4-Trimethoxyphenyl)cycloheptyl methanesulfonate 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:

methanesulfonyl chloride (124-63-0) + trans-(2',3',4'-Trimethoxyphenyl)-cycloheptanol-(2) → trans-2-(2',3',4'-Trimethoxyphenyl)-cycloheptyl-methansulfonat (16958-54-6)

Guidance literature:

With pyridine;

DOI:10.1021/jo01272a061

upstream raw materials:

methanesulfonyl chloride