Cyclohexanesulfinic Acid

Base Information

• Chemical Name: Cyclohexanesulfinic Acid
• CAS No.: 5675-01-4
• Molecular Formula: C6H12O2S
• Molecular Weight: 148.226
• Hs Code.: 2930909090
• European Community (EC) Number: 842-504-0
• DSSTox Substance ID: DTXSID70391235
• Wikidata: Q82188559
• Mol file: 5675-01-4.mol

Synonyms:Cyclohexanesulfinic Acid;5675-01-4;CyclohexanesulfinicAcid;SCHEMBL2851282;DTXSID70391235;EN300-719977

Chemical Property of Cyclohexanesulfinic Acid

Chemical Property:

• PSA: 56.51000
• LogP: 2.40650
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 148.05580079
• Heavy Atom Count: 9
• Complexity: 108

Purity/Quality:

95% ^*data from raw suppliers

CyclohexanesulfinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)S(=O)O

Technology Process of Cyclohexanesulfinic Acid

There total 10 articles about Cyclohexanesulfinic Acid 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:

cyclohexanesulfonyl-succinic acid (860427-46-9) → cyclohexanesulfinic acid (5675-01-4) + (2E)-but-2-enedioic acid (110-17-8,26099-09-2)

Guidance literature:

With sodium hydroxide;

Reference yield:

cyclohexane (110-82-7,25012-93-5) → cyclohexylcyclohexane (92-51-3) + dicyclohexyl sulfone (28797-07-1) + S-cyclohexyl cyclohexane-1-sulfonothioate (4837-39-2) + cyclohexanesulfonic acid (6922-46-9) + cyclohexanesulfinic acid (5675-01-4) + cyclohexyl cyclohexanesulfinate (135469-43-1)

Guidance literature:

With sulfur dioxide; hydrogen; mercury; at 30 ℃; for 1.75h; Mechanism; Product distribution; Irradiation; other alkanes and alkenes; other reaction conditions, also without H₂;

DOI:10.1021/jo00019a006

Reference yield:

cyclohexylmagnesium bromide (931-50-0) → cyclohexanesulfinic acid (5675-01-4)

Guidance literature:

Multistep reaction; (i) Cu₂Br₂, Et₂O, (ii) SO₂;

DOI:10.1016/S0022-328X(00)85514-X

upstream raw materials:

cyclohexane

cyclohexanesulfonyl-succinic acid

cyclohexylmagnesiumchloride

cyclohexanesulfonyl chloride

Downstream raw materials:

(1-Cyclohexanesulfonyl-2-nitro-ethyl)-benzene

3-(cyclohexylsulfonyl)-1,3-diphenylpropan-1-one

2-Hydroxy-2--1-cyclohexyl-aethan-on-(1)

3-(cyclohexylsulfonyl)-1-phenylpyrrolidine-2,5-dione

Refernces

• 1、 Ferguson, Richard R.,Crabtree, Robert H.. "Mercury-Photosensitized Sulfination, Hydrosulfination, and Carbonylation of Hydrocarbons: Alkane and Alkene Conversion to Sulfonic Acids, Ketones, and Aldehydes". . p. 5503 - 5510. Retrieved 2007/10/02.