Cyclohexylmethanesulfonyl Chloride

Base Information

• Chemical Name: Cyclohexylmethanesulfonyl Chloride
• CAS No.: 4352-30-1
• Molecular Formula: C7H13ClO2S
• Molecular Weight: 196.698
• Hs Code.: 2904909090
• European Community (EC) Number: 692-476-7
• DSSTox Substance ID: DTXSID50397659
• Nikkaji Number: J2.417.531F
• Wikidata: Q72459716
• Mol file: 4352-30-1.mol

Synonyms:Cyclohexylmethanesulfonyl Chloride;4352-30-1;Cyclohexyl-methanesulfonyl chloride;CYCLOHEXYLMETHANE SULFONYL CHLORIDE;Cyclohexylmethanesulphonyl chloride;SCHEMBL965016;Cyclohexylmethanesulfonylchloride;cylohexylmethane sulfonyl chloride;Cyclohexylmethyl sulfonyl chloride;DTXSID50397659;BNZZPMGQCWZOPS-UHFFFAOYSA-N;cyclohexyl-methane-sulfonylchloride;AMY18157;AR3434;MFCD03452748;(cyclohexyl)-methanesulphonyl chloride;AKOS009159298;Cyclohexylmethanesulfonic acid chloride;AS-7035;CS-0171584;EN300-53764;J-520172;F9995-2515

Chemical Property of Cyclohexylmethanesulfonyl Chloride

Chemical Property:

• Melting Point: 114-115oC
• Boiling Point: 280oC
• Flash Point: 123oC
• PSA: 42.52000
• Density: 1.229
• LogP: 3.21610
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 196.0324785
• Heavy Atom Count: 11
• Complexity: 199

Purity/Quality:

99%, ^*data from raw suppliers

cyclohexylmethanesulfonylchloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)CS(=O)(=O)Cl
• Use Description: Cyclohexyl-methanesulfonyl chloride, also known as mesyl chloride, has diverse applications across different fields. In the realm of organic chemistry and chemical synthesis, it serves as a valuable reagent for the introduction of the mesyl (methanesulfonyl) functional group into organic molecules. This group can serve as a leaving group in various chemical reactions, facilitating the creation of new compounds, including pharmaceutical intermediates. In the pharmaceutical industry, it plays a critical role in the synthesis of pharmaceutical agents, contributing to drug development and manufacturing processes. Additionally, in academic research and industrial laboratories, mesyl chloride is used as a reference material and substrate for studying reaction mechanisms and conducting studies in synthetic chemistry, fostering advancements in the field. Its versatility as a chemical reagent and intermediate underscores its significance in organic synthesis, pharmaceuticals, and chemical research, driving progress and innovation in these diverse fields.

Technology Process of Cyclohexylmethanesulfonyl Chloride

There total 10 articles about Cyclohexylmethanesulfonyl Chloride 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: 100.0%

S-(cyclohexylmethyl) ethanethioate (107512-01-6) → cyclohexylmethylsulfonyl chloride (4352-30-1)

Guidance literature:

With hydrogenchloride; N-chloro-succinimide; In water; acetonitrile; at 0 - 20 ℃; Inert atmosphere;

Reference yield: 100.0%

→ cyclohexylmethylsulfonyl chloride (4352-30-1)

Guidance literature:

Reference yield: 19.0%

cyclohexylmethanesulfonic acid (4352-27-6) → cyclohexylmethylsulfonyl chloride (4352-30-1)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at -20 - 20 ℃; for 2.5h;

upstream raw materials:

thiourea

Cyclohexylmethyl bromide

cyclohexylmethyl chloride

S-(cyclohexylmethyl) ethanethioate

Downstream raw materials:

methyl (2S)-1-[(cyclohexylmethyl)sulfonyl]-2-piperidinecarboxylate

methyl 4-{2-[5-chloro-2-(2-{[(cyclohexylmethyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]ethoxy}benzoate

N-[2-(4-chloro-phenyl)-2H-indazol-3-yl]-C-dicyclohexyl-methanesulfonamide

C₁₄H₂₂N₂O₂S

Refernces

• 1、 -. "MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS". Paragraph 0318-0319; 0311. . Retrieved 2019/06/19.
• 2、 Barnwell, Neil,Cornwall, Philip,Horner, Daniel,Knott, Jason,Liddon, John. "Development of an extremely efficient oxidative chlorination reaction: The value of routine data collection". supporting information; experimental part. p. 278 - 288. Retrieved 2010/04/29.