Oxetan-2-ylmethyl 4-methylbenzenesulfonate

Base Information

• Chemical Name: Oxetan-2-ylmethyl 4-methylbenzenesulfonate
• CAS No.: 115845-51-7
• Molecular Formula: C11H14 O4 S
• Molecular Weight: 242.296
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID60552656
• Mol file: 115845-51-7.mol

Synonyms:115845-51-7;Oxetan-2-ylmethyl 4-methylbenzenesulfonate;Toluene-4-sulfonic acid oxetan-2-ylmethyl ester;oxetan-2-ylmethyl 4-methylbenzene-1-sulfonate;Toluene-4-sulfonic acid oxetan-2-yl methyl ester;MFCD08544404;2-Oxetanemethanol, 2-(4-methylbenzenesulfonate);2-(TOSYLOXYMETHYL)OXETANE;Oxetan-2-ylmethyl4-methylbenzenesulfonate;Oxetan-2-ylmethyl Tosylate;SCHEMBL283511;DTXSID60552656;UYSILSHSVRRBST-UHFFFAOYSA-N;AKOS015842479;PB14600;AS-32692;SY098640;oxetan-2-yl-methyl 4-methylbenzenesulfonate;2-oxetanylmethyl 4-methyl-1-benzenesulfonate;CS-0048766;(Oxetan-2-yl)methyl 4-methylbenzene-1-sulfonate

Chemical Property of Oxetan-2-ylmethyl 4-methylbenzenesulfonate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.539
• Boiling Point: 383.817°C at 760 mmHg
• Flash Point: 185.926°C
• PSA: 60.98000
• Density: 1.262
• LogP: 2.57000
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 242.06128010
• Heavy Atom Count: 16
• Complexity: 311

Purity/Quality:

98%,99%, ^*data from raw suppliers

Oxetan-2-ylmethyl4-Methylbenzenesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2CCO2

Technology Process of Oxetan-2-ylmethyl 4-methylbenzenesulfonate

There total 1 articles about Oxetan-2-ylmethyl 4-methylbenzenesulfonate 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: 92.0%

oxetan-2-ylmethanol (61266-70-4) + p-toluenesulfonyl chloride (98-59-9) → (oxetan-2-yl)methyl 4-methylbenzene-1-sulfonate (115845-51-7)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 60.1667h;

Reference yield: 82.0%

(oxetan-2-yl)methyl 4-methylbenzene-1-sulfonate (115845-51-7) → racemic 2-(bromomethyl)oxetane (939759-23-6)

Guidance literature:

With potassium bromide; In 2,2'-[1,2-ethanediylbis(oxy)]bisethanol; at 200 ℃;

Reference yield: 81.5%

(oxetan-2-yl)methyl 4-methylbenzene-1-sulfonate (115845-51-7) → 2-(iodomethyl)oxetane (121138-00-9)

Guidance literature:

With potassium iodide; In 2,2'-[1,2-ethanediylbis(oxy)]bisethanol; at 200 ℃;

upstream raw materials:

oxetan-2-ylmethanol

p-toluenesulfonyl chloride

Downstream raw materials:

2-(4-chlorophenylthiomethyl)oxetane

5-chloro-N-[(2Z)-5,5-dimethyl-3-(oxetan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]-2-methoxybenzamide

racemic 2-(bromomethyl)oxetane

2-(iodomethyl)oxetane

Refernces

• 1、 -. "Synthetic method of 2-oxetane derivative". Paragraph 0038; 0039; 0040. . Retrieved 2019/01/08.
• 2、 Colley, Helen E.,Muthana, Munitta,Danson, Sarah J.,Jackson, Lucinda V.,Brett, Matthew L.,Harrison, Joanne,Coole, Sean F.,Mason, Daniel P.,Jennings, Luke R.,Wong, Melanie,Tulasi, Vamshi,Norman, Dennis,Lockey, Peter M.,Williams, Lynne,Dossetter, Alexander G.,Griffen, Edward J.,Thompson, Mark J.. "An Orally Bioavailable, Indole-3-glyoxylamide Based Series of Tubulin Polymerization Inhibitors Showing Tumor Growth Inhibition in a Mouse Xenograft Model of Head and Neck Cancer". . p. 9309 - 9333. Retrieved 2015/12/23.