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2-Acetyl-5-methylthiophene

ALDRICH/533610 - 98%

Synonym: 1-(5-Methyl-2-thienyl)ethanone; 1-(5-Methylthiophen-2-yl)ethan-1-one; 1-(5-Methylthiophen-2-yl)ethanone; 2-Methyl-5-acetylthiophene; 5-Methyl-2-thienyl methyl ketone; Methyl 5-methyl-2-thienyl ketone

CAS Number: 13679-74-8
Empirical Formula (Hill Notation): C7H8OS
Molecular Weight: 140.20
EC Number: 237-181-2
MDL Number: MFCD00014529
Linear Formula: C7H8OS
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-533610-25G 25 g
 $434.00
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assay 98%
bp 65-67 °C/1 mmHg (lit.)
density 1.106 g/mL at 25 °C (lit.)
InChI 1S/C7H8OS/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
InChI key YOSDTJYMDAEEAZ-UHFFFAOYSA-N
mp 24-28 °C (lit.)
refractive index n20/D 1.561 (lit.)
SMILES string CC(=O)c1ccc(C)s1
Application: 2-Acetyl-5-methylthiophene may be used in the preparation of:
• 2-ethyl-5-methylthiophene
• (5-methylthiophen-2-yl)glyoxal
• (2E)-1-(5-methylthiophen-2-yl)-3-(pyridin-3-yl)prop-2-en-1-one
• ethyl 3-(5-methylthiophen-2-yl)-3-oxopropanoate
General description: 2-Acetyl-5-methylthiophene is a volatile organic compound formed during the reaction between L-cysteine and dihydroxyacetone in glycerine or triglyceride solvent system. It can be prepared by reacting 2-methylthiophene with acetic anhydride. 2-Acetyl-5-methylthiophene undergoes palladium-catalyzed cross-coupling reaction with aryl bromides to form C-4 arylated product. It reacts with 1,2-bis(5-formyl-2-methylthiophen-3-yl)cyclopentene via Aldol condensation to form a chalcone with photochromic property. The standard molar enthalpies of combustion, formation and vaporization of 2-acetyl-5-methylthiophene are 4341.9 ± 1.8kJ/mol, 158.0 ± 2.1kJ/mol and 62.0 ± 2.6kJ/mol, respectively.
Packaging: 25 g in glass bottle
RIDADR UN 3335
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity 98%
bp 65-67 °C/1 mmHg (lit.)
mp 24-28 °C (lit.)
Density 1.106 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.561 (lit.)
UNSPSC 12352100

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