4-CYANO-3-TETRAHYDROTHIOPHENONE

Base Information

• Chemical Name: 4-CYANO-3-TETRAHYDROTHIOPHENONE
• CAS No.: 16563-14-7
• Molecular Formula: C5H5 N O S
• Molecular Weight: 127.167
• Hs Code.: 2934999090
• Mol file: 16563-14-7.mol

Synonyms:4-Cyano-3-oxotetrahydrothiophene;4-Cyanotetrahydro-3-thiophenone; 4-Cyanothiolan-3-one; 4-Cyanothiophan-3-one;4-Oxotetrahydrothiophene-3-carbonitrile; NSC 298357

Chemical Property of 4-CYANO-3-TETRAHYDROTHIOPHENONE

Chemical Property:

• Melting Point: 71 °C
• Boiling Point: 125 °C / 1mmHg
• Flash Point: 141.4°C
• PSA: 66.16000
• Density: 1.29g/cm³
• LogP: 0.44208
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: soluble in Methanol

Purity/Quality:

97% ^*data from raw suppliers

4-Cyano-3-tetrahydrothiophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-CYANO-3-TETRAHYDROTHIOPHENONE

There total 3 articles about 4-CYANO-3-TETRAHYDROTHIOPHENONE 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: 50.0%

Methyl thioglycolate (2365-48-2) + acrylonitrile (107-13-1,25014-41-9) → 4-oxotetrahydrothiophene-3-carbonitrile (16563-14-7)

Guidance literature:

With sodium methylate; In methanol; for 1h; Heating;

DOI:10.1055/s-1985-31407

Reference yield: 36.0%

Methyl thioglycolate (2365-48-2) + acrylonitrile (107-13-1,25014-41-9) → 4-oxotetrahydrothiophene-3-carbonitrile (16563-14-7) + methyl 3-amino-4,5-dihydrothiophene-2-carboxylate (167280-87-7)

Guidance literature:

With sodium methylate; In methanol; for 3h; Reflux;

DOI:10.1002/chem.201600159

Reference yield:

→ 4-oxotetrahydrothiophene-3-carbonitrile (16563-14-7)

Guidance literature:

DOI:10.1007/BF01158485

upstream raw materials:

Methyl thioglycolate

acrylonitrile

Downstream raw materials:

3-(4-Methylthio-2-nitroanilino)-2,5-dihydrothiophene-4-nitrile

3-(4-chloro-2-nitroanilino)-4-cyano-2,5-dihydrothiophene

Toluene-4-sulfonic acid 4-cyano-2,5-dihydro-thiophen-3-yl ester

4-(2-Nitro-4-trifluoromethyl-phenylamino)-2,5-dihydro-thiophene-3-carbonitrile