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CAS No.: | 1468-83-3 |
---|---|
Name: | 3-Acetylthiophene |
Article Data: | 35 |
Molecular Structure: | |
Formula: | C6H6OS |
Molecular Weight: | 126.179 |
Synonyms: | 1-thiophen-3-ylethanone;Methyl 3-thienyl ketone;Ethanone, 1-(3-thienyl)-;3-Acetyl Thiophene; |
EINECS: | 215-996-4 |
Density: | 1.142 g/cm3 |
Melting Point: | 57-62 °C(lit.) |
Boiling Point: | 190.5 °C at 760 mmHg |
Flash Point: | 69 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 22-24/25-36/37-36-26 |
Transport Information: | UN 2811 |
PSA: | 45.31000 |
LogP: | 1.95070 |
3-ethynylthiophene
1-(thiophen-3-yl)-ethanone
Conditions | Yield |
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With C22H20AuN3O2P(1+)*CF3O3S(1-); water; silver trifluoromethanesulfonate; acetic acid at 100℃; for 10h; | 93% |
With water; silver trifluoromethanesulfonate for 7h; Heating; | 90% |
With water for 8h; Reflux; | 87% |
Conditions | Yield |
---|---|
With palladium diacetate; triethylamine; triphenylphosphine In dimethyl sulfoxide; N,N-dimethyl-formamide at 20 - 100℃; for 2h; Heck Reaction; Microwave irradiation; regioselective reaction; | 86% |
1-(thiophen-3-yl)ethan-1-ol
1-(thiophen-3-yl)-ethanone
Conditions | Yield |
---|---|
With trimethylaluminum In toluene at 20℃; for 0.5h; Oppenauer oxidation; | 84% |
With tert.-butylnitrite; oxygen; 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine; acetic acid In acetonitrile at 20℃; for 4.5h; Irradiation; | 71% |
With dipropylene glycol dimethyl ether; oxygen at 120℃; |
Conditions | Yield |
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Stage #1: 3-Bromothiophene; -butyl vinyl ether With 1,3-bis-(diphenylphosphino)propane; triethylamine; palladium diacetate In various solvent(s) at 125℃; for 30h; Regioselective Heck arylation; Stage #2: With hydrogenchloride In various solvent(s) for 1h; | 82% |
Conditions | Yield |
---|---|
With trifluorormethanesulfonic acid; water; palladium diacetate; 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine at 60℃; for 5h; | 80% |
Conditions | Yield |
---|---|
Stage #1: 1,4-dithiane-2,5-diol; 4-methoxy-3-buten-2-one; 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 50 - 67℃; for 3 - 10h; Stage #2: hydrogenchloride In water; acetonitrile at 60℃; for 2.5 - 3.5h; Product distribution / selectivity; | 79% |
at 110℃; for 30h; Product distribution / selectivity; | 21% |
hydrogenchloride In water; toluene at 65℃; for 3h; Product distribution / selectivity; | 20 %Chromat. |
2-Iodothiophene
carbon monoxide
tetramethylstannane
1-(thiophen-3-yl)-ethanone
Conditions | Yield |
---|---|
With MCM-41-supported bidentate phosphine palladium(0) complex In N,N-dimethyl-formamide at 70℃; under 760.051 Torr; for 10h; Stille carbonylative cross-coupling; | 75% |
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide In water; acetonitrile at 50℃; for 15h; Electrolysis; | 74% |
With sodium anthraquinonesulfonate; air In water; acetonitrile at 20℃; for 18h; Irradiation; | 91 %Chromat. |
1,4-dithiane-2,5-diol
(E)-4-(dimethylamino)but-3-en-2-one
1-(thiophen-3-yl)-ethanone
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate In tetrahydrofuran at 65℃; for 16h; | 58% |
1,4-dithiane-2,5-diol
4-dimethylamino-3-buten-2-one
1-(thiophen-3-yl)-ethanone
Conditions | Yield |
---|---|
at 110℃; for 30h; Product distribution / selectivity; | 9% |
hydrogenchloride In water; toluene at 90℃; for 10h; Product distribution / selectivity; | 32 %Chromat. |
potassium carbonate In N,N-dimethyl-formamide at 80℃; for 8h; Product distribution / selectivity; | 17 %Chromat. |
Structure of 3-Acetylthiophene (CAS NO.1468-83-3):
IUPAC Name: 1-thiophen-3-ylethanone
Empirical Formula: C6H6OS
Molecular Weight: 126.1762
EINECS: 215-996-4
Index of Refraction: 1.54
Molar Refractivity: 34.66 cm3
Molar Volume: 110.4 cm3
Polarizability: 13.74×10-24cm3
Surface Tension: 38.7 dyne/cm
Density: 1.142 g/cm3
Flash Point: 69 °C
Enthalpy of Vaporization: 42.67 kJ/mol
Melting Point: 57-62 °C(lit.)
Boiling Point: 190.5 °C at 760 mmHg
Vapour Pressure: 0.541 mmHg at 25°C
Sensitive: Light Sensitive
Physical Appearance: white to light yellow crystal powder
Product Categories: Thiophenes;Sulphur Derivatives;Thiophene&Benzothiophene;Heterocyclic Compounds
Hazard Codes: Xn,Xi
Risk Statements: 20/21/22-36/37/38
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: 22-24/25-36/37-36-26
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
3-Acetylthiophene , its cas register number is 1468-83-3. It also can be called Ethanone, 1-(3-thienyl)- ; Methyl 3-thienyl ketone ; 3-Acetyl Thiophene ; 3-Acetyl Benzothiophen .