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

Base Information

• Chemical Name: 1-(2-Fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one
• CAS No.: 552298-97-2
• Molecular Formula: C11H11FOS2
• Molecular Weight: 242.338
• DSSTox Substance ID: DTXSID70384566
• Mol file: 552298-97-2.mol

Synonyms:552298-97-2;1-(2-Fluoro-phenyl)-3,3-bis-methylslfanyl-propenone;1-(2-fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one;Maybridge3_001683;SCHEMBL6219515;DTXSID70384566;HMS1435M11;CCG-243255;IDI1_013070;1-(2-fluorophenyl)-3,3-bis(methylthio)prop-2-en-1-one

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

Chemical Property:

• Boiling Point: 346.2±42.0 °C(Predicted)
• PSA: 67.67000
• Density: 1.236±0.06 g/cm3(Predicted)
• LogP: 3.57580
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 242.02353548
• Heavy Atom Count: 15
• Complexity: 247

Purity/Quality:

97% ^*data from raw suppliers

1-(2-FLUORO-PHENYL)-3,3-BIS-METHYLSLFANYL-PROPENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC(=CC(=O)C1=CC=CC=C1F)SC

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

There total 1 articles about 1-(2-Fluorophenyl)-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:

carbon disulfide (75-15-0,12122-00-8) + 2'-Fluoroacetophenone (445-27-2) + methyl iodide (74-88-4) → C11H11FOS2 (552298-97-2)

Guidance literature:

carbon disulfide; 2'-Fluoroacetophenone; With sodium hydride; In N,N-dimethyl-formamide; toluene; at 20 ℃; for 0.5h;

methyl iodide; In N,N-dimethyl-formamide; toluene; for 2h; Cooling with ice;

DOI:10.1002/ejoc.201300376

Reference yield: 95.0%

cinnamylamine (4360-51-4) + C11H11FOS2 (552298-97-2) → (E)-3-(cinnamylamino)-1-(2-fluorophenyl)-3-(methylthio)prop-2-en-1-one

Guidance literature:

In ethanol; at 80 ℃;

DOI:10.1021/acs.joc.0c00093

Reference yield: 78.0%

C11H11FOS2 (552298-97-2) + 1-(2-aminophenyl)prop-1-yne (220465-91-8) → (E)-1-(2-fluorophenyl)-3-(methylthio)-3-((2-(prop-1-yn-1-yl)phenyl)amino)prop-2-en-1-one

Guidance literature:

With boron trifluoride diethyl etherate; In toluene; at 110 ℃; for 4h;

DOI:10.1002/adsc.201800599

upstream raw materials:

carbon disulfide

2'-Fluoroacetophenone

methyl iodide

Refernces

• 1、 Chen, Xue-Bing,Liu, Xi-Ming,Huang, Rong,Yan, Sheng-Jiao,Lin, Jun. "Three-component synthesis of indanone-fused spirooxindole derivatives". supporting information. p. 4607 - 4613. Retrieved 2013/07/26.