4-Fluorophenyl 2-thienyl ketone

Base Information

• Chemical Name: 4-Fluorophenyl 2-thienyl ketone
• CAS No.: 579-49-7
• Molecular Formula: C11H7 F O S
• Molecular Weight: 206.24
• Hs Code.: 2934999090
• European Community (EC) Number: 209-442-0
• DSSTox Substance ID: DTXSID70206618
• Nikkaji Number: J86.509E
• Wikidata: Q83080474
• Mol file: 579-49-7.mol

Synonyms:579-49-7;4-Fluorophenyl 2-thienyl ketone;(4-fluorophenyl)(thiophen-2-yl)methanone;(4-fluorophenyl)-thiophen-2-ylmethanone;p-Fluorophenyl-2-thienylketone;2-(4-fluorobenzoyl)thiophene;4-fluorophenyl-2-thienyl ketone;EINECS 209-442-0;(4-Fluorophenyl)-(2-thienyl) ketone;Methanone, (4-fluorophenyl)-2-thienyl-;Maybridge1_004267;2-(p-Fluorobenzoyl)thiophene;SCHEMBL2074541;4-Fluoropheny 2-thienyl ketone;HMS553J23;DTXSID70206618;4-Fluorophenyl thien-2-yl ketone;C11-H7-F-O-S;(4-fluorophenyl)-(2-thienyl)ketone;MFCD00044554;(p-Fluorophenyl)-(2-thienyl) ketone;AKOS000715164;PS-6602;4-fluorophenyl 2-thienyl ketone, AldrichCPR;CS-0206830;FT-0605007;EN300-266305;1H-Pyrazole-3-carboxylicacid,4-nitro-,methylester;A831686;Z385420868

Chemical Property of 4-Fluorophenyl 2-thienyl ketone

Chemical Property:

• Appearance/Colour: White Crystalline Solid
• Vapor Pressure: 0.000459mmHg at 25°C
• Melting Point: 94-99 °C
• Boiling Point: 314.7°Cat760mmHg
• Flash Point: 144.1°C
• PSA: 45.31000
• Density: 1.279g/cm³
• LogP: 3.11820
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 206.02016418
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

98%min ^*data from raw suppliers

p-Fluorophenyl-2-thienylketone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)C(=O)C2=CC=C(C=C2)F
• Uses: p-Fluorophenyl-2-thienylketone (cas# 579-49-7) is a compound useful in organic synthesis.

Technology Process of 4-Fluorophenyl 2-thienyl ketone

There total 15 articles about 4-Fluorophenyl 2-thienyl ketone 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: 99.0%

thiophene (188290-36-0,8014-23-1,25233-34-5) + 4-Fluorobenzoic acid (456-22-4) → 2-(4-fluorobenzoyl)thiophene (579-49-7)

Guidance literature:

With pyridin-2-yl trifluoromethanesulfonate; trifluoroacetic acid; for 4h; Heating;

DOI:10.1246/bcsj.61.455

Reference yield: 91.1%

thiophene (188290-36-0,8014-23-1,25233-34-5) + 4-fluorobenzoyl chloride (403-43-0) → 2-(4-fluorobenzoyl)thiophene (579-49-7)

Guidance literature:

tin(IV) chloride; In dichloromethane; at 23 ℃; for 2.5h;

DOI:10.1002/chem.200600958

Reference yield: 91.0%

2-bromothiophene (1003-09-4) + 4-fluorobenzaldehyde (459-57-4) → 2-(4-fluorobenzoyl)thiophene (579-49-7) + 2,2'-Bithiophene (492-97-7) + (4-fluorophenyl)-(thien-2-yl)methanol (151917-31-6) + (4-Fluoro-phenyl)-di-thiophen-2-yl-methanol

Guidance literature:

With iodine; magnesium; In tetrahydrofuran; 1.) reflux, 5 h; 2.) 20 deg C, 4 h then 22 deg C, 3 h;

DOI:10.1016/0040-4020(95)00659-V

upstream raw materials:

thiophene

4-fluorobenzoyl chloride

4-Fluorobenzoic acid

2-bromothiophene

Downstream raw materials:

2-[4-(piperidyl)benzoyl]thiophene

(4-Pyrazol-1-yl-phenyl)-thiophen-2-yl-methanone

Thiophen-2-yl-(4-[1,2,4]triazol-4-yl-phenyl)-methanone

Thiophen-2-yl-(4-[1,2,4]triazol-1-yl-phenyl)-methanone

Refernces

• 1、 Xiong, Baojian,Zeng, Xiaoqin,Geng, Shasha,Chen, Shuo,He, Yun,Feng, Zhang. "Thiyl radical promoted chemo- and regioselective oxidation of CC bonds using molecular oxygen: Via iron catalysis". supporting information. p. 4521 - 4527. Retrieved 2018/10/17.
• 2、 Fu, Ying,Zhao, Xing Ling,Hügel, Hulmet,Huang, Danfeng,Du, Zhengyin,Wang, Kehu,Hu, Yulai. "Magnesium salt promoted tandem nucleophilic addition-Oppenauer oxidation of aldehydes with organozinc reagents". supporting information. p. 9720 - 9724. Retrieved 2016/10/31.