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CAS No.: | 4066-41-5 |
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Name: | 5-Acetylthiophene-2-carboxylic acid |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C7H6O3S |
Molecular Weight: | 170.189 |
Synonyms: | 5-Acetyl-2-thiophenecarboxylicacid;5-Carboxy-2-acetylthiophene;Labotest-bb lt00454683;Buttpark 121\06-15;Akos msc-0226;Rarechem al bo 0535; |
EINECS: | 609-857-0 |
Density: | 1.383 g/cm3 |
Melting Point: | 210-212 °C |
Boiling Point: | 385.2 °C at 760 mmHg |
Flash Point: | 186.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 82.61000 |
LogP: | 1.64890 |
5-bromothiophene-2-carboxylic acid
acetyl chloride
5-acetylthiophene-2-carboxylic acid
Conditions | Yield |
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Stage #1: 5-bromothiophene-2-carboxylic acid; acetyl chloride With isopropylmagnesium bromide In tetrahydrofuran at -40 - -10℃; for 12h; Solid phase reaction; Stage #2: In dichloromethane at 20℃; for 0.25h; Hydrolysis; Further stages.; | 90% |
2-Acetyl-5-methylthiophen
5-acetylthiophene-2-carboxylic acid
Conditions | Yield |
---|---|
With cerium(III) chloride; 1,1,1-trichloroethanol; oxygen In acetonitrile at 60℃; Irradiation; | 81% |
With oxygen; cobalt(II) acetate; sodium bromide In acetic acid at 95℃; for 1.5h; Kinetics; Rate constant; | |
With oxygen; cobalt(II) acetate; sodium bromide In acetic acid at 100℃; for 1.5h; |
Conditions | Yield |
---|---|
With 2,3,6,7-tetramethoxy-9(10H)-anthracenone; caesium carbonate In dimethyl sulfoxide at 25℃; under 2280.15 Torr; for 18h; Irradiation; Sealed tube; regioselective reaction; | 39% |
Conditions | Yield |
---|---|
With PPA at 60 - 80℃; for 2h; Acylation; Friedel-Crafts acylation; | 10% |
1-(5-ethanesulfonylmethyl-[2]thienyl)-ethanone
5-acetylthiophene-2-carboxylic acid
Conditions | Yield |
---|---|
With potassium permanganate |
Conditions | Yield |
---|---|
With hydrogenchloride; n-butyllithium; carbon dioxide In tetrahydrofuran; hexane |
2-Acetylthiophene
5-(α-methoxyimino)ethyl-2-thiophenecarboxylic acid
5-acetylthiophene-2-carboxylic acid
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: sodium carbonate; acetic acid / methanol; water / 86 °C / pH 4 - 5 2: polyphosphoric acid / 100 °C 3: sodium hypochlorite / methanol / 10 - 70 °C 4: hydrogenchloride / water / 55 - 60 °C View Scheme | |
Multi-step reaction with 4 steps 1: acetic acid; sodium carbonate / water; methanol / 3 h / pH 5 / Heating 2: zinc(II) chloride; hydrogenchloride / water; chloroform / 12 h / 100 °C 3: sodium hypochlorite; hydrogenchloride / water; methanol / 4 h / 70 °C 4: hydrogenchloride / water / 12 h / 65 °C View Scheme |
2-(α-methoxyimino)ethylthiophene
5-acetylthiophene-2-carboxylic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: polyphosphoric acid / 100 °C 2: sodium hypochlorite / methanol / 10 - 70 °C 3: hydrogenchloride / water / 55 - 60 °C View Scheme | |
Multi-step reaction with 3 steps 1: zinc(II) chloride; hydrogenchloride / water; chloroform / 12 h / 100 °C 2: sodium hypochlorite; hydrogenchloride / water; methanol / 4 h / 70 °C 3: hydrogenchloride / water / 12 h / 65 °C View Scheme |
2-acetyl-5-(α-methoxyimino)ethylthiophene
5-acetylthiophene-2-carboxylic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sodium hypochlorite / methanol / 10 - 70 °C 2: hydrogenchloride / water / 55 - 60 °C View Scheme | |
Multi-step reaction with 2 steps 1: sodium hypochlorite; hydrogenchloride / water; methanol / 4 h / 70 °C 2: hydrogenchloride / water / 12 h / 65 °C View Scheme |
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IUPAC Name: 5-Acetylthiophene-2-carboxylate
Synonyms of 5-Acetylthiophene-2-carboxylic acid (CAS NO.5452-37-9): Labotest-bb lt00454683 ; Buttpark 121\06-15 ; Akos msc-0226 ; 5-Acetyl-2-thiophenecarboxylic acid ; Rarechem al bo 0535 ; 5-Acetylthiophene-2-CarboxylicAcid98% ; 5-Acetylthiophene-2-Carboxylic Acid 98%
CAS NO: 5452-37-9
Molecular Formula of 5-Acetylthiophene-2-carboxylic acid (CAS NO.5452-37-9): C7H6O3S
Molecular Weight: 170.1857
Molecular Structure:
Melting Point: 210-212°C
Polar Surface Area: 71.61 Å2
Index of Refraction: 1.591
Molar Refractivity: 41.59 cm3
Molar Volume: 122.9 cm3
Surface Tension: 56.8 dyne/cm
Density of 5-Acetylthiophene-2-carboxylic acid (CAS NO.5452-37-9): 1.383 g/cm3
Flash Point: 186.8 °C
Enthalpy of Vaporization: 66.87 kJ/mol
Boiling Point: 385.2 °C at 760 mmHg
Vapour Pressure: 1.27E-06 mmHg at 25°C
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
Hazard Note: Irritant