| Identification | More | [Name]
3-Acetylthiophene | [CAS]
1468-83-3 | [Synonyms]
1-(3-THIENYL)ETHANONE
3-ACETYLTHIOPHENE
METHYL 3-THIENYL KETONE
1-(3-Thienyl)-1-ethanone
1-Thiophen-3-yl-ethanone
3-Acetylthiophen
Ethanone,1-(3-thienyl)-
Ketone, methyl 3-thienyl
Ketone,methyl3-thienyl
Acetylthiophene,95%
Acetylthiophene,97%
3-Acetylthiophene99%
3-Acetyl
1-thien-3-ylethanone
3-Thienyl (methyl) ketone | [EINECS(EC#)]
215-996-4 | [Molecular Formula]
C6H6OS | [MDL Number]
MFCD00005468 | [Molecular Weight]
126.18 | [MOL File]
1468-83-3.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
57-62 °C (lit.) | [Boiling point ]
208-210 °C/748 mmHg (lit.) | [density ]
1.176 (estimate) | [refractive index ]
1.5667 (estimate) | [Fp ]
208-210°C | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Chloroform, Hexane (Slightly) | [form ]
Adhering Crystals | [color ]
Beige to light brown | [Sensitive ]
Light Sensitive | [BRN ]
107241 | [InChI]
1S/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3 | [InChIKey]
RNIDWJDZNNVFDY-UHFFFAOYSA-N | [SMILES]
CC(=O)c1ccsc1 | [LogP]
1.240 | [CAS DataBase Reference]
1468-83-3(CAS DataBase Reference) | [NIST Chemistry Reference]
Ethanone, 1-(3-thienyl)-(1468-83-3) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
UN2811 | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29349990 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Uses]
3-Acetylthiophene was used in the preparation of 1-(methylthiophenylidine)-8-naphthylamine(Schiff′s base) and 1-(thiophen-3-yl)ethanone. | [Definition]
ChEBI: 3-Acetylthiophene is an aromatic ketone. | [General Description]
3-Acetylthiophene modified glassy carbon electrode has been used in voltammetric determination of uric acid in urine samples. | [Synthesis]
The general procedure for the synthesis of 3-acetylthiophene from 3-ethynylthiophene was as follows: a mixture of 3-ethynylthiophene (232 mg, 2.0 mmol) and S-COPNA (NP) resin (59 mg, 0.2 mmol) in H2O (4 mL) was subjected to refluxing conditions (bath temperature of 120°C) and the reaction was stirred for 8 h at 600 rpm. After completion of the reaction, the catalyst was removed by filtration and washed sequentially with H2O and heptane. A drop of saturated NaHCO3 solution was added to the organic layer, followed by evaporation of the organic solvent under reduced pressure. The residue was purified by column chromatography using heptane-acetone (20:1) as eluent to give finally 3-acetylthiophene (225 mg, 84% yield). | [Purification Methods]
Recrystallise the thiophene from pet ether (b 30-60o) or EtOH. The 2,4-dinitrophenylhydrazone crystallises from CHCl3, m 265o, and the semicarbazone crystallises from EtOH, m 174-175o. [Campaigne & Le Suer J Am Chem Soc 70 1555 1948, Beilstein 17/9 V 399.] | [References]
[1] Applied Organometallic Chemistry, 2012, vol. 26, # 12, p. 722 - 726
[2] Tetrahedron Letters, 2017, vol. 58, # 10, p. 955 - 958
[3] Tetrahedron Letters, 2014, vol. 55, # 8, p. 1444 - 1447
[4] ChemSusChem, 2013, vol. 6, # 3, p. 430 - 432 |
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