1-(4-Chlorophenyl)-3-(2-thienyl)-2-propen-1-one

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-3-(2-thienyl)-2-propen-1-one
• CAS No.: 6028-91-7
• Molecular Formula: C13H9 Cl O S
• Molecular Weight: 248.733
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID301243076
• Mol file: 6028-91-7.mol

Synonyms:HYOCHOLICACID;1-(4-Chlorophenyl)-3-(2-thienyl)-2-propen-1-one;DTXSID301243076;AKOS030229249;UPCMLD0ENAT5455168:001;NCI60_020105;FT-0605688

Chemical Property of 1-(4-Chlorophenyl)-3-(2-thienyl)-2-propen-1-one

Chemical Property:

• Vapor Pressure: 1.8E-06mmHg at 25°C
• Melting Point: 120 °C
• Boiling Point: 395.7°C at 760 mmHg
• Flash Point: 193.1°C
• PSA: 45.31000
• Density: 1.3g/cm³
• LogP: 4.29760
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 248.0062638
• Heavy Atom Count: 16
• Complexity: 269

Purity/Quality:

98%Min ^*data from raw suppliers

1-(4-Chlorophenyl)-3-thien-2-ylprop-2-en-1-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)C=CC(=O)C2=CC=C(C=C2)Cl

Technology Process of 1-(4-Chlorophenyl)-3-(2-thienyl)-2-propen-1-one

There total 6 articles about 1-(4-Chlorophenyl)-3-(2-thienyl)-2-propen-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: 96.0%

thiophene-2-carbaldehyde (98-03-3) + para-chloroacetophenone (99-91-2) → (E)-1-(4-chlorophenyl)-3-(thiophen-2-yl)prop-2-en-1-one (6028-91-7,69837-04-3)

Guidance literature:

With sodium hydroxide; In ethanol; for 0.666667h;

DOI:10.1002/ardp.201100005

Reference yield: 82.0%

thiophene-2-carbaldehyde (98-03-3) + para-chloroacetophenone (99-91-2) → 1-(4-chlorophenyl)-3-(thiophen-2-yl)prop-2-en-1-one (6028-91-7)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃;

DOI:10.1007/s11164-013-1101-8

Reference yield: 63.0%

C13H11ClOS (30461-53-1) → (E)-1-(4-chlorophenyl)-3-(thiophen-2-yl)prop-2-en-1-one (6028-91-7,69837-04-3)

Guidance literature:

With tert.-butylhydroperoxide; tetrabutylammomium bromide; In decane; benzene; at 40 ℃; for 24h; chemoselective reaction; Sealed tube;

DOI:10.1002/adsc.201400100

upstream raw materials:

thiophene-2-carbaldehyde

para-chloroacetophenone

ethanol

3-acetyl-6-chloropyridine

Downstream raw materials:

1-(4-chloro-phenyl)-3-morpholin-4-yl-3-thiophen-2-yl-propan-1-one

3-(4-chlorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole

3-cyano-6-(4'-chlorophenyl)-4-(thiophen-2'-yl)-2(1H)-pyridone

3-(4-chloro-phenyl)-1-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole