3-(4-CHLOROBENZOYL)-4,4-BIS(METHYLSULFANYL)-3-BUTENENITRILE

Base Information

• Chemical Name: 3-(4-CHLOROBENZOYL)-4,4-BIS(METHYLSULFANYL)-3-BUTENENITRILE
• CAS No.: 77147-93-4
• Molecular Formula: C₁₃H₁₂ClNOS₂
• Molecular Weight: 297.829
• Mol file: 77147-93-4.mol

Synonyms:3-(4-Chloro-benzoyl)-4,4-bis-methylsulfanyl-but-3-enenitrile

Chemical Property of 3-(4-CHLOROBENZOYL)-4,4-BIS(METHYLSULFANYL)-3-BUTENENITRILE

Chemical Property:

• Melting Point: 111-112 °C(Solv: chloroform (67-66-3))
• Boiling Point: 462.2±45.0 °C(Predicted)
• Density: 1.294±0.06 g/cm3(Predicted)

Purity/Quality:

3-(4-CHLOROBENZOYL)-4,4-BIS(METHYLSULFANYL)-3-BUTENENITRILE 95.00% ^*data from reagent suppliers

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Technology Process of 3-(4-CHLOROBENZOYL)-4,4-BIS(METHYLSULFANYL)-3-BUTENENITRILE

There total 1 articles about 3-(4-CHLOROBENZOYL)-4,4-BIS(METHYLSULFANYL)-3-BUTENENITRILE 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:

carbon disulfide (75-15-0,12122-00-8) + 4-(4-chloro-phenyl)-4-oxo-butyronitrile (40394-87-4) + methyl iodide (74-88-4) → 3-(4-Chloro-benzoyl)-4,4-bis-methylsulfanyl-but-3-enenitrile (77147-93-4)

Guidance literature:

With sodium t-butanolate; Yield given. Multistep reaction; 1.) benzene, DMF, 5-10 deg C, 5h 2.) room temp., 5h; 30-35 deg C, 3h;

DOI:10.1055/s-1981-29341

Reference yield: 88.0%

3-(4-Chloro-benzoyl)-4,4-bis-methylsulfanyl-but-3-enenitrile (77147-93-4) → 3-bis(methylthio)methylene-4-(4-chlorophenyl)-4-oxobutanamide dioxime (117319-59-2)

Guidance literature:

With hydroxylamine; In ethanol; for 1h; Heating;

DOI:10.1055/s-1988-27477

Reference yield: 63.0%

3-(4-Chloro-benzoyl)-4,4-bis-methylsulfanyl-but-3-enenitrile (77147-93-4) → 5-(Bis-methylsulfanyl-methyl)-6-(4-chloro-phenyl)-2H-pyridazin-3-one (117319-58-1)

Guidance literature:

With hydrazine hydrate; In ethanol; for 16h; Heating;

DOI:10.1055/s-1988-27477

upstream raw materials:

carbon disulfide

4-(4-chloro-phenyl)-4-oxo-butyronitrile

methyl iodide

Downstream raw materials:

5-(Bis-methylsulfanyl-methyl)-6-(4-chloro-phenyl)-2H-pyridazin-3-one

3-bis(methylthio)methylene-4-(4-chlorophenyl)-4-oxobutanamide dioxime

N-[4-(4-Chloro-benzoyl)-1-ethyl-5-methylsulfanyl-1H-pyrrol-2-yl]-benzamide

N-[1-Benzyl-4-(4-chloro-benzoyl)-5-methylsulfanyl-1H-pyrrol-2-yl]-benzamide

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