2-Acetylthiophene

2-Acetylthiophene Basic information
Description
Product Name:2-Acetylthiophene
Synonyms:1-(2-THIENYL)ETHAN-1-ONE;AKOS BBS-00000940;2-ACETYLTHIOLE;2-ACETYLTHIOPHENE;2-ACETOTHIOPHENE;LABOTEST-BB LT01593557;METHYL 2-THIENYL KETONE;2-ACETYLTHIOPHENE 98+%
CAS:88-15-3
MF:C6H6OS
MW:126.18
EINECS:201-804-6
Product Categories:Heterocycle-oher series;Sulphur Derivatives;Thiophene&Benzothiophene;thiophene Flavor;Thiophenes;1;bc0001
Mol File:88-15-3.mol
2-Acetylthiophene Structure
2-Acetylthiophene Chemical Properties
Melting point 10-11 °C (lit.)
Boiling point 214 °C (lit.)
density 1.168 g/mL at 25 °C (lit.)
vapor pressure 2.7 hPa (50 °C)
refractive index n20/D 1.565(lit.)
Fp 196 °F
storage temp. Store below +30°C.
solubility 14g/l
form Liquid
color Clear pale yellow to light brown
Odorat 100.00 %. sulfurous nutty hazelnut walnut
Odor Typesulfurous
Water Solubility Insoluble in water.
Sensitive Light Sensitive
BRN 107910
InChIKeyWYJOVVXUZNRJQY-UHFFFAOYSA-N
LogP1.250
CAS DataBase Reference88-15-3(CAS DataBase Reference)
NIST Chemistry ReferenceEthanone, 1-(2-thienyl)-(88-15-3)
EPA Substance Registry SystemEthanone, 1-(2-thienyl)- (88-15-3)
Safety Information
Hazard Codes T,Xi,Xn
Risk Statements 25-23/24/25-20/21/22
Safety Statements 45-38-36/37/39-28-36
RIDADR UN 2810 6.1/PG 2
WGK Germany 3
RTECS OB6300000
13
Autoignition Temperature265 °C DIN 51794
Hazard Note Irritant
TSCA Yes
HazardClass 6.1
PackingGroup II
HS Code 29349990
ToxicityLD50 orally in Rabbit: 25 – 200 mg/kg LD50 dermal Rat 370 mg/kg
MSDS Information
ProviderLanguage
2-AcetylthiopheneEnglish
SigmaAldrichEnglish
ACROSEnglish
ALFAEnglish
2-Acetylthiophene Usage And Synthesis
Description2-Acetylthiophene occurs naturally in kohlrabi. It has a sulfurous nutty hazelnut odor. It can be used as a food additive. It is also used as an intermediate to produce drugs, such as Tiamonium Iodide, Suprofan, Stepronin, Tenonitrozole, Namirotene, etc.
Chemical Propertiesclear colorless to slightly yellow liquid
Uses2-Acetylthiophene is used as an intermediate in the manufacturing of drugs like Tiamonium Iodide, Suprofan, Stepronin, Tenonitrozole, Namirotene, etc.
DefinitionChEBI: 2-Acetylthiophene is an aromatic ketone.
Synthesis Reference(s)Organic Syntheses, Coll. Vol. 2, p. 8, 1943
The Journal of Organic Chemistry, 36, p. 540, 1971 DOI: 10.1021/jo00803a011
Tetrahedron Letters, 40, p. 3109, 1999 DOI: 10.1016/S0040-4039(99)00476-1
Safety ProfilePoison by intraperitoneal route. A flammable liquid. When heated to decomposition emits toxic fumes of SOx,.
Purification MethodsFractionally distil the thiophene through a 12-plate column, and fraction b 77o/4mm is collected. Also wet the acetylthiophene in order to remove and free thiophene which forms an azeotrope with H2O, b 68o. Store it in a brown bottle, and the clear colourless liquid remains thus for extended periods. [Kosak & Hartough Org Synth Coll Vol III 14 1955, Hartough & Kosak J Am Chem Soc 69 3093 1947.] The red 4-nitrophenylhydrazone crystallises from EtOH with m 181-182o. [Beilstein 17/9 V 387.]
2-Acetylthiophene Preparation Products And Raw materials
Raw materialsAcetyl chloride
Preparation Products4-Bromo-2-thiophenecarboxylic acid–>5-[2-(METHYLTHIO)PYRIMIDIN-4-YL]THIOPHENE-2-SULFONYL CHLORIDE–>5-ACETYL-2-THIOPHENECARBALDEHYDE–>3-OXO-3-THIOPHEN-2-YL-PROPIONIC ACID ETHYL ESTER–>5-THIEN-2-YL-4H-PYRAZOLE-3-CARBOXYLIC ACID–>Ethyl 5-thien-2-yl-1H-pyrazole-3-carboxylate–>2-Thiopheneacetic acid–>1-(4-BROMO-2-THIENYL)ETHAN-1-ONE–>2-(2-BROMOACETYL)THIOPHENE–>THIOPHENE-2-ACETAMIDE–>2,4-DIOXO-4-THIOPHEN-2-YL-BUTYRIC ACID METHYL ESTER–>2-Acetyl-5-bromothiophene–>2-(2-thienyl)propionic acid–>1-[2-Hydroxy-2(2-thienyl)ethyl]pyridinium bromide–>5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophene-2-carboxamide–>1,3,5-tri(thiophen-2-yl)benzene–>N-(2-THIOPHENECARBOMYL)PYRIDINIUM BROMIDE–>2-ACETYL-4-CHLOROTHIOPHENE–>2,5-Dihydrothiophene–>2-THIENYL-2-DIMETHYLAMINOETHYL KETONE HCL

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