Butyl cyclopropanesulfonate

Base Information

• Chemical Name: Butyl cyclopropanesulfonate
• CAS No.: 83635-12-5
• Molecular Formula: C7H14O3S
• Molecular Weight: 178.252
• Hs Code.: 2904100090
• DSSTox Substance ID: DTXSID40440300
• Nikkaji Number: J3.484.447J
• Mol file: 83635-12-5.mol

Synonyms:BUTYL CYCLOPROPANESULFONATE;83635-12-5;Cyclopropanesulfonic acid, butyl ester;cyclopropanesulfonic acid butyl ester;Butyl=cyclopropanesulfonate;Butylcyclopropane sulfonate;n-Butyl cyclopropanesulfonate;1-Butyl cyclopropanesulfonate;SCHEMBL388401;BUTYLCYCLOPROPANESULFONATE;AMY3047;DTXSID40440300;VWGWOTXVWXTFMB-UHFFFAOYSA-N;MFCD09261379;AKOS015914190;CS-W022611;DS-4060;FT-0664020;A840618;A1-13503

Chemical Property of Butyl cyclopropanesulfonate

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Boiling Point: 296.182oC at 760 mmHg
• Flash Point: 132.926oC
• PSA: 51.75000
• Density: 1.167g/cm3
• LogP: 2.37610
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 178.06636548
• Heavy Atom Count: 11
• Complexity: 198

Purity/Quality:

99% ^*data from raw suppliers

ButylCyclopropanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOS(=O)(=O)C1CC1

Technology Process of Butyl cyclopropanesulfonate

There total 5 articles about Butyl cyclopropanesulfonate 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%

1-butyl 3-chloro-1-propanesulfonate (146475-47-0) → 1-butyl cyclopropanesulfonate (83635-12-5)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane;

DOI:10.1021/jo00057a027

Reference yield: 77.0%

cyclopropanesulfonyl chloride (139631-62-2) + butan-1-ol (71-36-3) → 1-butyl cyclopropanesulfonate (83635-12-5)

Guidance literature:

With pyridine; at 0 - 20 ℃;

Reference yield: 76.0%

3-(butoxysulfonyl)-N,N,N-trimethylpropanaminium fluorosulfate → 1-butyl cyclopropanesulfonate (83635-12-5)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 2h;

DOI:10.1021/ja00389a038

upstream raw materials:

1-butyl 3-chloro-1-propanesulfonate

butyl 3-(dimethylamino)propanesulfonate

cyclopropanesulfonyl chloride

butan-1-ol

Downstream raw materials:

butyl 1-((benzyloxy)methyl)cyclopropane-1-sulfonate

Refernces

• 1、 -. "BIOMARKERS FOR DETERMINING EFFECTIVE RESPONSE OF TREATMENTS OF HEPATOCELLULAR CARCINOMA (HCC) PATIENTS". Page/Page column 39; 40. . Retrieved 2014/01/07.
• 2、 -. "NOVEL 6-ARYLAMINO PYRIDONE SULFONAMIDES AND 6-ARYLAMINO PYRAZINONE SULFONAMIDES AS MEK INHIBITORS". Page/Page column 54-55. . Retrieved 2010/12/31.