TETRAHYDROTHIOPYRAN-4-CARBONITRILE

Base Information

• Chemical Name: TETRAHYDROTHIOPYRAN-4-CARBONITRILE
• CAS No.: 195503-40-3
• Molecular Formula: C6H9NS
• Molecular Weight: 127.20736
• Hs Code.: 2934999090
• Mol file: 195503-40-3.mol

Synonyms:Tetrahydro-2H-thiopyran-4-carbonitrile;Tetrahydrothiopyran-4-carbonitrile;

Chemical Property of TETRAHYDROTHIOPYRAN-4-CARBONITRILE

Chemical Property:

• Vapor Pressure: 0.01mmHg at 25°C
• Refractive Index: 1.519
• Boiling Point: 263.2 °C at 760 mmHg
• Flash Point: 113 °C
• PSA: 49.09000
• Density: 1.08 g/cm³
• LogP: 1.65318
• Storage Temp.: 2-8°C

Purity/Quality:

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

Tetrahydrothiopyran-4-carbonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Harmful:

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of TETRAHYDROTHIOPYRAN-4-CARBONITRILE

There total 6 articles about TETRAHYDROTHIOPYRAN-4-CARBONITRILE 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%

Tetrahydrothiopyran-4-one (1072-72-6) + [(p-methylphenyl)sulfonylmethyl]isonitrile (38622-91-2,36635-61-7) → tetrahydro-2H-thiopyrane-4-carbonitrile (195503-40-3)

Guidance literature:

With potassium tert-butylate; In 1,2-dimethoxyethane; tert-butyl alcohol; at 0 - 30 ℃;

Reference yield: 94.0%

4-thianylcarbaldehyde (50675-19-9) → tetrahydro-2H-thiopyrane-4-carbonitrile (195503-40-3)

Guidance literature:

With hydroxylamine hydrochloride; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In ethyl acetate; N,N-dimethyl-formamide; at 100 ℃;

DOI:10.1055/s-0029-1218388

Reference yield: 91.0%

Tetrahydrothiopyran-4-one (1072-72-6) + toluene-4-sulfonic acid cyanomethyl ester (14562-04-0) → tetrahydro-2H-thiopyrane-4-carbonitrile (195503-40-3)

Guidance literature:

With potassium tert-butylate; In 1,2-dimethoxyethane; tert-butyl alcohol; at 0 - 20 ℃; for 3h;

DOI:10.1016/j.bmcl.2011.01.082

upstream raw materials:

Tetrahydrothiopyran-4-one

[(p-methylphenyl)sulfonylmethyl]isonitrile

1-isocyanatomethanesulfonyl-4-methyl-benzene

4-thianylcarbaldehyde

Downstream raw materials:

tetrahydro-2H-thiopyran-4-carbonitrile 1,1-dioxide

(1,1-dioxo-hexahydro-1-thiopyran-4-yl)-methanol

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

4-thianylcarbaldehyde

Refernces

• 1、 -. "SULFONYL-SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR". Paragraph 0595; 0596. . Retrieved 2020/08/16.
• 2、 -. "COMPOUNDS AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS". Paragraph 257; 258. . Retrieved 2018/07/31.