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Name	5-Acetylthiophene-2-carboxylic acid	EINECS	609-857-0
CAS No.	4066-41-5	Density	1.383 g/cm³
PSA	82.61000	LogP	1.64890
Solubility	N/A	Melting Point	210-212 °C
Formula	C₇H₆O₃S	Boiling Point	385.2 °C at 760 mmHg
Molecular Weight	170.189	Flash Point	186.8 °C
Transport Information	N/A	Appearance	N/A
Safety	26-36/37/39	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	5-Acetyl-2-thiophenecarboxylicacid;5-Carboxy-2-acetylthiophene;Labotest-bb lt00454683;Buttpark 121\06-15;Akos msc-0226;Rarechem al bo 0535;	Article Data	14

5-Acetylthiophene-2-carboxylic acid Synthetic route

: 7311-63-9
5-bromothiophene-2-carboxylic acid

: 75-36-5
acetyl chloride

: 4066-41-5
5-acetylthiophene-2-carboxylic acid

Conditions

Conditions	Yield
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%

: 13679-74-8
2-Acetyl-5-methylthiophen

: 4066-41-5
5-acetylthiophene-2-carboxylic acid

Conditions

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;

: 88-15-3
2-Acetylthiophene

: 124-38-9
carbon dioxide

: 4066-41-5
5-acetylthiophene-2-carboxylic acid

Conditions

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%

: 527-72-0
2-thiophenylcarboxylic acid

: 141-82-2
malonic acid

: 4066-41-5
5-acetylthiophene-2-carboxylic acid

Conditions

Conditions	Yield
With PPA at 60 - 80℃; for 2h; Acylation; Friedel-Crafts acylation;	10%

: 98954-61-1
1-(5-ethanesulfonylmethyl-[2]thienyl)-ethanone

: 4066-41-5
5-acetylthiophene-2-carboxylic acid

Conditions

Conditions	Yield
With potassium permanganate

N'-tetramethylethylenediamine: N'-tetramethylethylenediamine

: 5916-12-1
2-methyl-2-(thiophen-2-yl)-[1,3]dioxolane

: 4066-41-5
5-acetylthiophene-2-carboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride; n-butyllithium; carbon dioxide In tetrahydrofuran; hexane

: 88-15-3
2-Acetylthiophene

: 1379398-60-3
5-(α-methoxyimino)ethyl-2-thiophenecarboxylic acid

: 4066-41-5
5-acetylthiophene-2-carboxylic acid

: 88-15-3
2-Acetylthiophene

: 4066-41-5
5-acetylthiophene-2-carboxylic acid

Conditions

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

: 114773-97-6
2-(α-methoxyimino)ethylthiophene

: 4066-41-5
5-acetylthiophene-2-carboxylic acid

Conditions

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

: 114774-08-2
2-acetyl-5-(α-methoxyimino)ethylthiophene

: 4066-41-5
5-acetylthiophene-2-carboxylic acid

Conditions

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

5-Acetylthiophene-2-carboxylic acid Chemical Properties

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

5-Acetylthiophene-2-carboxylic acid Safety Profile

Hazard Codes: Irritant 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

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