2-Phenyl-1-(thiophen-2-yl)ethanone

Base Information

• Chemical Name: 2-Phenyl-1-(thiophen-2-yl)ethanone
• CAS No.: 13196-28-6
• Molecular Formula: C12H10OS
• Molecular Weight: 202.277
• DSSTox Substance ID: DTXSID00350739
• Nikkaji Number: J903.655E
• Wikidata: Q82126829
• Mol file: 13196-28-6.mol

Synonyms:2-phenyl-1-(thiophen-2-yl)ethanone;13196-28-6;2-phenyl-1-(2-thienyl)ethanone;2-phenyl-1-thiophen-2-ylethanone;2-phenyl-1-(thiophen-2-yl)ethan-1-one;TimTec1_000335;SCHEMBL1515726;DTXSID00350739;HXMVINSKZVYIDI-UHFFFAOYSA-N;HMS1534P05;BBL039041;MFCD00218862;STK312901;AKOS000306283;NCGC00175224-01;LS-08641;CS-0269902;FT-0762566;2-PHENYL-1-(2-THIENYL)-1-ETHANONE;EN300-229076;A909313;BRD-K99066181-001-01-7

Chemical Property of 2-Phenyl-1-(thiophen-2-yl)ethanone

Chemical Property:

• Melting Point: 44.5 °C
• Boiling Point: 179 °C(Press: 11 Torr)
• PSA: 45.31000
• Density: 1.181±0.06 g/cm3(Predicted)
• LogP: 3.17350
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 202.04523611
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

97% ^*data from raw suppliers

2-phenyl-1-(thiophen-2-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=CS2

Technology Process of 2-Phenyl-1-(thiophen-2-yl)ethanone

There total 28 articles about 2-Phenyl-1-(thiophen-2-yl)ethanone 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: 90.0%

thiophene (188290-36-0,8014-23-1,25233-34-5) + phenylmalonic acid (2613-89-0) → 2-phenyl-1-(thiophen-2-yl)ethan-1-one (13196-28-6)

Guidance literature:

With PPA; at 60 - 80 ℃; for 2h;

DOI:10.1080/00304949909458327

Reference yield: 87.0%

(+/-)-1-(2-thienyl)-2-phenyl-1-ethanol (36634-79-4) → 2-phenyl-1-(thiophen-2-yl)ethan-1-one (13196-28-6)

Guidance literature:

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; copper diacetate; In water; acetonitrile; at 20 ℃; for 6h; Green chemistry;

DOI:10.1016/j.tetlet.2013.09.050

Reference yield: 85.0%

tri-(2-thienyl)-stibine (108565-42-0) + phenylacetyl chloride (103-80-0) → 2-phenyl-1-(thiophen-2-yl)ethan-1-one (13196-28-6)

Guidance literature:

With iron(III) chloride; In 1,2-dichloro-ethane; at 80 ℃; for 1h; Inert atmosphere;

DOI:10.3987/COM-15-13227

upstream raw materials:

thiophene

phenylacetyl chloride

N,N-diethyl thiophene 2-carboxamide

benzylmagnesium chloride

Downstream raw materials:

α-(thien-2-yl)benzeneethanamine

3-phenyl-2-(thiophen-2-yl)-1H-indole

2-phenyl-1-[2]thienyl-ethanone-(2,4-dinitro-phenylhydrazone)

2-phenethylthiophene