2-Acetyl-3-methylthiophene

Names

[ CAS No. ]:
13679-72-6

[ Name ]:
2-Acetyl-3-methylthiophene

[Synonym ]:
1-(3-Methylthiophen-2-yl)ethanone
EINECS 237-179-1
MFCD00005443

Chemical & Physical Properties

[ Density]:
1.124 g/mL at 25 °C(lit.)

[ Boiling Point ]:
98-99 °C14 mm Hg(lit.)

[ Molecular Formula ]:
C₇H₈OS

[ Molecular Weight ]:
140.20300

[ Flash Point ]:
199 °F

[ Exact Mass ]:
140.03000

[ PSA ]:
45.31000

[ LogP ]:
2.25910

[ Vapour Pressure ]:
0.152mmHg at 25°C

[ Index of Refraction ]:
n20/D 1.562(lit.)

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S36/37

[ RIDADR ]:
PG 3

[ WGK Germany ]:
3

[ Packaging Group ]:
III

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

Synthesis and SAR optimization of diketo acid pharmacophore for HCV NS5B polymerase inhibition.

Eur. J. Med. Chem. 46(10) , 5138-45, (2011)

Hepatitis C virus (HCV) NS5B polymerase is a key target for anti-HCV therapeutics development. Here we report the synthesis and biological evaluation of a new series of α,γ-diketo acids (DKAs) as NS5B...

Automated parallel synthesis of chalcone-based screening libraries. Powers DG, et al.

Tetrahedron 54(16) , 4085-96, (1998)