(Tetrahydro-2H-thiopyran-4-yl)methanol

Base Information

• Chemical Name: (Tetrahydro-2H-thiopyran-4-yl)methanol
• CAS No.: 100277-27-8
• Molecular Formula: C6H12 O S
• Molecular Weight: 132.227
• Hs Code.: 2934999090
• European Community (EC) Number: 641-345-2
• DSSTox Substance ID: DTXSID80602925
• Wikidata: Q82500134
• Mol file: 100277-27-8.mol

Synonyms:100277-27-8;(Tetrahydro-2H-thiopyran-4-yl)methanol;thian-4-ylmethanol;TETRAHYDROTHIOPYRAN-4-METHANOL;2H-THIOPYRAN-4-METHANOL, TETRAHYDRO-;TETRAHYDROTHIOPYRAN-4-YLMETHANOL;(Thian-4-yl)methanol;MFCD09966150;SCHEMBL283508;AMY3090;DTXSID80602925;AKOS006280343;PB28111;4-(Hydroxymethyl)tetrahydro-2H-thiopyran;AS-31673;SY019602;DB-058340;CS-0053969;EN300-96856;A897511;W-204358;Z1198266791

Chemical Property of (Tetrahydro-2H-thiopyran-4-yl)methanol

Chemical Property:

• Vapor Pressure: 0.0104mmHg at 25°C
• Refractive Index: 1.513
• Boiling Point: 233.4°Cat760mmHg
• PKA: 14.83±0.10(Predicted)
• Flash Point: 114.2°C
• PSA: 45.53000
• Density: 1.061g/cm³
• LogP: 1.12190
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 132.06088618
• Heavy Atom Count: 8
• Complexity: 59.5

Purity/Quality:

97% ^*data from raw suppliers

(Tetrahydro-2H-thiopyran-4-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSCCC1CO

Technology Process of (Tetrahydro-2H-thiopyran-4-yl)methanol

There total 15 articles about (Tetrahydro-2H-thiopyran-4-yl)methanol 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: 73.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-iodotetrahydro-2H-thiopyran (281204-90-8) → (tetrahydro-2H-thiopyran-4-yl)methanol (100277-27-8)

Guidance literature:

With (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; N-ethyl-N,N-diisopropylamine; In water; acetonitrile; at 20 ℃; for 16h; Irradiation;

DOI:10.1039/d1sc03083c

Reference yield: 72.0%

4-thianylcarbaldehyde (50675-19-9) → (tetrahydro-2H-thiopyran-4-yl)methanol (100277-27-8)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 1h; Inert atmosphere;

DOI:10.1021/acs.joc.8b02721

Reference yield: 60.0%

tetrahydro-thiopyran-4-carboxylic acid methyl ester (128094-82-6) → (tetrahydro-2H-thiopyran-4-yl)methanol (100277-27-8)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 4h; Heating;

upstream raw materials:

tetrahydro-thiopyran-4-carboxylic acid ethyl ester

tetrahydro-thiopyran-4-carboxylic acid methyl ester

tetrahydro-2H-pyran-4-carboxylic acid

tetrahydro-4H-pyran-4,4-dicarboxylic acid

Downstream raw materials:

(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methyl 4-methylbenzenesulfonate

4-(bromomethyl)thiane

Refernces

• 1、 Doering,Hoffmann. "-". . p. 521,525. Retrieved 1955.
• 2、 Iwabuchi, Yoshiharu,Nagasawa, Shota,Sasaki, Ryota,Sasano, Yusuke,Yamaichi, Aoto. "Expansion of substrate scope for nitroxyl radical/copper-catalyzed aerobic oxidation of primary alcohols: A guideline for catalyst selection". . p. 488 - 497. Retrieved 2021/05/27.
• 3、 -. "SULFONYL-SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR". Paragraph 0595; 0598. . Retrieved 2020/08/16.