1,1,1-Trifluoro-3-(2-thienyl)acetone

Base Information

• Chemical Name: 1,1,1-Trifluoro-3-(2-thienyl)acetone
• CAS No.: 14529-33-0
• Molecular Formula: C7H5 F3 O S
• Molecular Weight: 194.177
• European Community (EC) Number: 238-552-1
• UNII: 4KUD7RM4WF
• DSSTox Substance ID: DTXSID50162965
• Nikkaji Number: J241.288H
• Wikidata: Q83031786
• Mol file: 14529-33-0.mol

Synonyms:14529-33-0;1,1,1-Trifluoro-3-(2-thienyl)acetone;1,1,1-Trifluoro-3-(2-thienyl)-2-propanone;1,1,1-trifluoro-3-thiophen-2-ylpropan-2-one;Thienyltrifluoroacetone;1,1,1-TRIFLUORO-3-(THIOPHEN-2-YL)PROPAN-2-ONE;EINECS 238-552-1;4KUD7RM4WF;2-Propanone, 1,1,1-trifluoro-3-(2-thienyl)-;C7H5F3OS;UNII-4KUD7RM4WF;SCHEMBL6253571;DTXSID50162965;C7-H5-F3-O-S;AC4318;AKOS010286581;1,1,1-Trifluoro-3-thiophenylpropan-2-one;CS-0308630;EN300-1260768;A926183

Chemical Property of 1,1,1-Trifluoro-3-(2-thienyl)acetone

Chemical Property:

• Vapor Pressure: 0.745mmHg at 25°C
• Boiling Point: 184.1°C at 760 mmHg
• Flash Point: 65.2°C
• PSA: 45.31000
• Density: 1.369g/cm³
• LogP: 2.42200
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 194.00132044
• Heavy Atom Count: 12
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1,1-Trifluoro-3-(2-thienyl)acetone

There total 2 articles about 1,1,1-Trifluoro-3-(2-thienyl)acetone 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: 54.0%

Thiophene-2-acetic acid (1918-77-0) + ethyl trifluoroacetate, (383-63-1) → 2-thenoyltrifluoroacetone (14529-33-0)

Guidance literature:

Thiophene-2-acetic acid; With lithium diisopropyl amide; In tetrahydrofuran; at -20 - 20 ℃; for 4h;

ethyl trifluoroacetate,; In tetrahydrofuran; at -65 ℃; for 0.25h;

DOI:10.1021/acs.orglett.5b00087

Reference yield:

thiophenol (108-98-5) → 2-thenoyltrifluoroacetone (14529-33-0)

Guidance literature:

In tetrachloromethane;

upstream raw materials:

thiophenol

Thiophene-2-acetic acid

ethyl trifluoroacetate,

Refernces

• 1、 -. "Trifluoromethylketone sulfides and reversible enzyme inhibition therewith". . . Retrieved 2008/06/13.