Tetrahydro-2H-pyran-4-yl 4-methylbenzenesulfonate

Base Information

• Chemical Name: Tetrahydro-2H-pyran-4-yl 4-methylbenzenesulfonate
• CAS No.: 97986-34-0
• Molecular Formula: C12H16O4S
• Molecular Weight: 256.323
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID60553365
• Wikidata: Q82433926
• Mol file: 97986-34-0.mol

Synonyms:97986-34-0;Tetrahydro-2H-pyran-4-yl 4-methylbenzenesulfonate;Tetrahydro-2H-pyran-4-yl p-tosylate;oxan-4-yl 4-methylbenzenesulfonate;Oxan-4-yl 4-methylbenzene-1-sulfonate;MFCD16620977;4-tosyloxytetrahydropyran;Tetrahydro-2H-pyran-4-yl4-methylbenzenesulfonate;tetrahydropyran-4-yl tosylate;SCHEMBL435571;DTXSID60553365;ZEERHWXRRLRIQO-UHFFFAOYSA-N;Tetrahydro-2H-pyran-4-yl Tosylate;XDA98634;AB7772;AKOS015855082;AS-68135;SY258981;4-(4-methylphenylsulfonyloxy)tetrahydropyran;CS-0038673;tetrahydropyran-4-yl 4-methylbenzenesulfonate;EN300-132042;p-toluenesulfonic acid tetrahydropyran-4-yl ester;A858599;tetrahydro-2H-pyran-4-yl-4-methylbenzenesulfonate;toluene-4-sulfonic acid tetrahydropyran-4-yl ester;toluene-4-sulfonic acid tetrahydro-pyran-4-yl ester;Tetrahydro-2H-pyran-4-yl 4-methylbenzenesulfonate, AldrichCPR

Chemical Property of Tetrahydro-2H-pyran-4-yl 4-methylbenzenesulfonate

Chemical Property:

• Boiling Point: 398.4±35.0 °C(Predicted)
• PSA: 60.98000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 2.96010
• Storage Temp.: Room temperature.
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 256.07693016
• Heavy Atom Count: 17
• Complexity: 319

Purity/Quality:

99% ^*data from raw suppliers

Tetrahydro-2H-pyran-4-yl4-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)OC2CCOCC2

Technology Process of Tetrahydro-2H-pyran-4-yl 4-methylbenzenesulfonate

There total 4 articles about Tetrahydro-2H-pyran-4-yl 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: 98.0%

→ toluene-4-sulfonic acid tetrahydropyran-4-yl ester (97986-34-0)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In dichloromethane; at 20 ℃; for 1h; Cooling with ice;

Reference yield: 93.0%

Tetrahydro-pyran-4-ol (2081-44-9) + p-toluenesulfonyl chloride (98-59-9) → toluene-4-sulfonic acid tetrahydropyran-4-yl ester (97986-34-0)

Guidance literature:

Tetrahydro-pyran-4-ol; With trimethylamine hydrochloride; triethylamine; In dichloromethane; at 20 ℃; for 0.166667h;

p-toluenesulfonyl chloride; In dichloromethane; at 0 - 20 ℃; for 17h;

Reference yield:

Tetrahydro-pyran-4-ol (2081-44-9) → toluene-4-sulfonic acid tetrahydropyran-4-yl ester (97986-34-0)

Guidance literature:

With pyridine; p-toluenesulfonyl chloride; In water; at 24 ℃;

upstream raw materials:

Tetrahydro-pyran-4-ol

p-toluenesulfonyl chloride

4-pyrone

Downstream raw materials:

C₁₄H₁₈O₃

tetrahydropyran-4-carboxylic acid methyl ester

4-methyltetrahydro-2H-pyran-4-carbonitrile

4-methyltetrahydro-2H-pyran-4-carboxylic acid

Refernces

• 1、 -. "2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE". Page/Page column 92. . Retrieved 2021/01/23.
• 2、 -. "COMPOUNDS AND METHOD OF USE". Paragraph 1256. . Retrieved 2019/09/06.