1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one
• CAS No.: 41467-26-9
• Molecular Formula: C11H11 Cl O S2
• Molecular Weight: 258.793
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID70384541
• Nikkaji Number: J1.092.057D
• Mol file: 41467-26-9.mol

Synonyms:41467-26-9;1-(4-chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one;1-(4-Chloro-phenyl)-3,3-bis-methylsulfanyl-propenone;1-(4-chlorophenyl)-3,3-bis(methylthio)prop-2-en-1-one;1-(4-chlorophenyl)-3,3-bis(methylsulfanyl)-2-propen-1-one;HMS1662J03;SCHEMBL6218138;DTXSID70384541;GPYHXBMRTUGLQA-UHFFFAOYSA-N;CCG-42257;AKOS016034317;GS-1938;EN 00099;FT-0719928;beta,beta-Di(methylthio)-4'-chloroacrylophenone;SR-01000632270-1;3,3-bis-(methylthio)-1-(4'-chlorophenyl)-2-propen-1-one

Chemical Property of 1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one

Chemical Property:

• PSA: 67.67000
• LogP: 4.09010
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 257.9939850
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

95% ^*data from raw suppliers

1-(4-Chlorophenyl)-3,3-bis(methylthio)prop-2-en-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC(=CC(=O)C1=CC=C(C=C1)Cl)SC

Technology Process of 1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one

There total 7 articles about 1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one 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: 83.0%

carbon disulfide (75-15-0,12122-00-8) + para-chloroacetophenone (99-91-2) + methyl iodide (74-88-4) → 1-(4-chlorophenyl)-3,3-bis(methylsulfanyl)-2-propen-1-one (41467-26-9)

Guidance literature:

para-chloroacetophenone; With potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 0.25h;

carbon disulfide; methyl iodide; In tetrahydrofuran; at 20 ℃; for 10h;

DOI:10.1055/s-2008-1077977

Reference yield: 35.0%

carbon disulfide (75-15-0,12122-00-8) + methyl bromide (74-83-9) + para-chloroacetophenone (99-91-2) → 1-(4-chlorophenyl)-3,3-bis(methylsulfanyl)-2-propen-1-one (41467-26-9)

Guidance literature:

With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In tetrahydrofuran; at 20 ℃; for 1.5h; or with irradiation (UV);

DOI:10.1007/BF00953747

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + para-chloroacetophenone (99-91-2) + dimethyl sulfate (77-78-1) → 1-(4-chlorophenyl)-3,3-bis(methylsulfanyl)-2-propen-1-one (41467-26-9)

Guidance literature:

para-chloroacetophenone; With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 0.25h; Inert atmosphere;

carbon disulfide; In tetrahydrofuran; at 0 ℃; for 4h; Inert atmosphere;

dimethyl sulfate; In tetrahydrofuran; at 0 - 20 ℃; for 4h; Inert atmosphere;

DOI:10.1039/c4ob01300j

upstream raw materials:

1-(4-chlorophenyl)-3,3-dimercapto-2-propen-1-one

methyl iodide

carbon disulfide

methyl bromide

Downstream raw materials:

(Z)-3-(4-chloro-phenyl)-3-methylsulfanyl-dithioacrylic acid methyl ester

4-(4-Chloro-phenyl)-6-morpholin-4-yl-pyrimidin-2-ylamine

2-(4-Chloro-phenyl)-4,4-bis-methylsulfanyl-but-3-en-2-ol

7-(p-chlorophenyl)-1,3-dimethyl-5-methylthiopyrido<2,3-d>pyrimidine-2,4(1H,3H)-dione