Oxan-4-ylmethyl methanesulfonate

Base Information

• Chemical Name: Oxan-4-ylmethyl methanesulfonate
• CAS No.: 132291-95-3
• Molecular Formula: C7H14O4S
• Molecular Weight: 194.252
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID40569444
• Wikidata: Q82456597
• Mol file: 132291-95-3.mol

Synonyms:132291-95-3;oxan-4-ylmethyl methanesulfonate;tetrahydropyran-4-ylmethyl methanesulfonate;(Tetrahydro-2H-pyran-4-yl)methyl methanesulfonate;(Tetrahydropyran-4-yl)methyl methanesulfonate;(Oxan-4-yl)methyl methanesulfonate;MFCD18785628;TETRAHYDRO-2H-PYRAN-4-YLMETHYLMETHANESULFONATE;SCHEMBL708723;DTXSID40569444;HJZXNSXKMBRTJZ-UHFFFAOYSA-N;AKOS025311338;AB89547;tetrahydropyran-4-ylmethylmethanesulfonate;SY185847;Tetrahydropyran-4-methanol methanesulfonate;CS-0008715;EN300-76129;A909324;Methanesulfonic acid tetrahydropyran-4-ylmethyl ester;TETRAHYDRO-2H-PYRAN-4-YLMETHYL METHANESULFONATE;Tetrahydropyran-4-ylmethyl methanesulfonate, AldrichCPR

Chemical Property of Oxan-4-ylmethyl methanesulfonate

Chemical Property:

• PSA: 60.98000
• LogP: 1.47000
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 194.06128010
• Heavy Atom Count: 12
• Complexity: 210

Purity/Quality:

98%min ^*data from raw suppliers

Oxan-4-YlmethylMethanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OCC1CCOCC1

Technology Process of Oxan-4-ylmethyl methanesulfonate

There total 5 articles about Oxan-4-ylmethyl 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: 100.0%

(tetrahydro-2H-pyran-4-yl)methanol (14774-37-9) + methanesulfonyl chloride (124-63-0) → 4-(methanesulfonyloxymethyl)tetrahydropyran (132291-95-3)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 18h;

Reference yield:

(tetrahydro-2H-pyran-4-yl)methanol (14774-37-9) + methanesulfonyl chloride (124-63-0) → 4-(methanesulfonyloxymethyl)tetrahydropyran (132291-95-3)

Guidance literature:

With triethylamine; In dichloromethane; at -40 - -20 ℃;

Reference yield:

tetrahydropyran-4-carboxylic acid methyl ester (110238-91-0) → 4-(methanesulfonyloxymethyl)tetrahydropyran (132291-95-3)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 10 - 20 °C

2: triethylamine / dichloromethane / 0 - 20 °C

With lithium aluminium tetrahydride; triethylamine; In tetrahydrofuran; dichloromethane;

upstream raw materials:

(tetrahydro-2H-pyran-4-yl)methanol

methanesulfonyl chloride

tetrahydropyran-4-carboxylic acid methyl ester

Downstream raw materials:

4-(iodomethyl)tetrahydro-2H-pyran

Refernces

• 1、 -. "PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION". Page/Page column 51-52. . Retrieved 2020/01/24.
• 2、 -. "HYDROXYL PURINE COMPOUNDS AND USE THEREOF". Paragraph 0136; 0137; 0138; 0238; 0239. . Retrieved 2018/06/09.