1-[4-(Thiophen-2-yl)phenyl]ethan-1-one

Base Information

• Chemical Name: 1-[4-(Thiophen-2-yl)phenyl]ethan-1-one
• CAS No.: 35294-37-2
• Molecular Formula: C12H10OS
• Molecular Weight: 202.277
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00398792
• Nikkaji Number: J1.072.046J
• Wikidata: Q82200965
• Mol file: 35294-37-2.mol

Synonyms:35294-37-2;1-[4-(thiophen-2-yl)phenyl]ethan-1-one;1-(4-thiophen-2-ylphenyl)ethanone;1-(4-(thiophen-2-yl)phenyl)ethanone;1-[4-(2-Thienyl)phenyl]ethanone;1-(4-Thiophen-2-yl-phenyl)-ethanone;1-(4-thien-2-ylphenyl)ethanone;p-Thienylacetophenon;4'-(2-Thienyl)acetophenone;4'-(thien-2-yl)acetophenone;SCHEMBL1133065;DTXSID00398792;VZCHCIWHJLPPNF-UHFFFAOYSA-N;MFCD04039158;AKOS000125036;AS-8672;CCG-301779;BB 0222552;CS-0215628;FT-0725864;EN300-26769;A801766

Chemical Property of 1-[4-(Thiophen-2-yl)phenyl]ethan-1-one

Chemical Property:

• Boiling Point: 323 °C at 760 mmHg
• Flash Point: 149.1 °C
• PSA: 45.31000
• Density: 1.151 g/cm³
• LogP: 3.61770
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 202.04523611
• Heavy Atom Count: 14
• Complexity: 206

Purity/Quality:

98%Min ^*data from raw suppliers

1-[4-(thiophen-2-yl)phenyl]ethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

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

Technology Process of 1-[4-(Thiophen-2-yl)phenyl]ethan-1-one

There total 39 articles about 1-[4-(Thiophen-2-yl)phenyl]ethan-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%

LiCH3C(CH2O)3B(2-thienyl) + para-bromoacetophenone (99-90-1) → 1-(4-(thiophen-2-yl)phenyl)ethanone (35294-37-2)

Guidance literature:

palladium diacetate; In N,N-dimethyl-formamide; at 50 ℃;

DOI:10.1002/anie.200704162

Reference yield: 94.0%

thiophene boronic acid (6165-68-0) + para-bromoacetophenone (99-90-1) → 1-(4-(thiophen-2-yl)phenyl)ethanone (35294-37-2)

Guidance literature:

With potassium carbonate; In ethanol; water; at 80 ℃; Green chemistry;

DOI:10.1039/c8ob00527c

Reference yield: 94.0%

thiophene boronic acid (6165-68-0) + para-chloroacetophenone (99-91-2) → 1-(4-(thiophen-2-yl)phenyl)ethanone (35294-37-2)

Guidance literature:

With dichlorido(pyridine)[4-(4-nitrophenyl)-1,3-bis-(2,4,6-trimethylphenyl)-4,5-dihydro-3H-imidazol-2-ylidene]palladium(II); potassium carbonate; In water; isopropyl alcohol; at 20 ℃; for 6h;

DOI:10.1002/adsc.201300841

upstream raw materials:

thiophene

para-bromoacetophenone

di-[2]thienyl-mercury

4-Iodoacetophenone

Downstream raw materials:

2-bromo-1-[4-(2-thienyl)phenyl]-1-ethanone

2-bromo-5-(4-bromoacetylphenyl)thiophene

piperidine-1-carboxylic acid 1-(4-thiophen-2-yl-phenyl)vinyl ester