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| CAS No.: | 5380-42-7 |
|---|---|
| Name: | METHYL THIOPHENE-2-CARBOXYLATE |
| Article Data: | 134 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H6 O2 S |
| Molecular Weight: | 142.178 |
| Synonyms: | 2-(Carbomethoxy)thiophene;2-(Methoxycarbonyl)thiophene; Methyl 2-thienylcarboxylate; Methyl2-thiophenecarboxylate; NSC 19879 |
| Density: | 1.217g/cm3 |
| Boiling Point: | 200.2°Cat760mmHg |
| Flash Point: | 74.9°C |
| Appearance: | clear light yellow liquid |
| Safety: | 111111 |
| PSA: | 54.54000 |
| LogP: | 1.53470 |
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- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
- 527-72-0
2-thiophenylcarboxylic acid
- 77-78-1
dimethyl sulfate
- 5380-42-7
thiophene-2-carboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| With lithium hydroxide In tetrahydrofuran for 0.5h; Methylation; esterification; Heating; | 100% |
- 96-43-5
2-thienyl chloride
- 67-56-1
methanol
- 201230-82-2
carbon monoxide
- 5380-42-7
thiophene-2-carboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| With potassium carbonate; methyl chloroacetate; dicobalt octacarbonyl at 60℃; | 98% |
| Conditions | Yield |
|---|---|
| Stage #1: methanol With 1,8-diazabicyclo[5.4.0]undec-7-ene; 1,4-dimethyl-1,2,4-triazolium iodide In tetrahydrofuran for 0.0833333h; Inert atmosphere; Stage #2: thiophene-2-carbaldehyde With 3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone In tetrahydrofuran at 20℃; for 2h; Inert atmosphere; | 97% |
| With FeMo6O24(9-)*3H3N*9H(1+); potassium chloride; dihydrogen peroxide at 65℃; for 24h; Schlenk technique; | 89% |
| With sodium hydrogen sulfate; iodine; potassium hydroxide at 0℃; for 2h; | 89% |
- 527-72-0
2-thiophenylcarboxylic acid
- 74-88-4
methyl iodide
- 5380-42-7
thiophene-2-carboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| Stage #1: 2-thiophenylcarboxylic acid With sodium t-butanolate In dimethyl sulfoxide for 0.166667h; Inert atmosphere; Stage #2: methyl iodide In dimethyl sulfoxide at 0 - 20℃; for 18h; | 97% |
| With sodium carbonate In N,N-dimethyl-formamide at 20℃; for 18h; Inert atmosphere; | 78% |
| Conditions | Yield |
|---|---|
| With thionyl chloride at 0 - 20℃; for 3h; | 96% |
| With iron(III) sulfate; sulfuric acid for 1h; Heating; | 95% |
| With thionyl chloride for 36h; Inert atmosphere; Schlenk technique; Reflux; | 93% |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide for 3h; Irradiation; | 96% |
| With oxygen at 20℃; for 12h; Irradiation; | 93% |
| With iodine; potassium carbonate for 39h; Heating; | 91% |
- 3437-95-4
2-Iodothiophene
- 67-56-1
methanol
- 201230-82-2
carbon monoxide
- 5380-42-7
thiophene-2-carboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| With triethylamine at 100℃; for 1.5h; Inert atmosphere; | 96% |
| With palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In N,N-dimethyl-formamide; toluene at 100℃; under 5250.53 Torr; continuous flow reactor; | 71% |
| With palladium diacetate; triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In N,N-dimethyl-formamide; toluene at 100℃; under 5250.53 Torr; Flow reactor; | 71% |
- 1003-09-4
2-bromothiophene
- 67-56-1
methanol
- 201230-82-2
carbon monoxide
- 5380-42-7
thiophene-2-carboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| With potassium carbonate; methyl chloroacetate; dicobalt octacarbonyl at 60℃; | 95% |
- 527-72-0
2-thiophenylcarboxylic acid
- 616-38-6
carbonic acid dimethyl ester
- 5380-42-7
thiophene-2-carboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| With triethylamine at 160℃; for 3h; Autoclave; Green chemistry; | 95% |
| With diiron nonacarbonyl at 180℃; for 1h; Sealed tube; | 95% |
| With tributyl-amine In N,N-dimethyl-formamide at 285℃; under 112511 Torr; for 0.05h; | 81% |
- 3437-95-4
2-Iodothiophene
- 107-31-3
Methyl formate
- 124-41-4
sodium methylate
A
- 188290-36-0
thiophene
B
- 5380-42-7
thiophene-2-carboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| bis-triphenylphosphine-palladium(II) chloride In dichloromethane at 80℃; under 11250.9 Torr; for 0.75h; | A 7% B 93% |
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Chemistry
IUPAC Name: Methyl thiophene-2-carboxylate
Following is the structure of 2-(Methoxycarbonyl)thiophene (CAS NO.5380-42-7):
Empirical Formula: C6H6O2S
Molecular Weight: 142.1756 g/mol
EINECS: 226-371-0
Molar Refractivity: 36.41 cm3
Molar Volume: 116.8 cm3
Density: 1.217 g/cm3
Flash Point: 74.9 °C
Index of Refraction: 1.535
Surface Tension: 40.8 dyne/cm
Enthalpy of Vaporization: 43.64 kJ/mol
Boiling Point: 200.2 °C at 760 mmHg
Vapour Pressure: 0.329 mmHg at 25 °C
Product Categories of 2-(Methoxycarbonyl)thiophene (CAS NO.5380-42-7): Aromatic Esters
Water Solubility of 2-(Methoxycarbonyl)thiophene (CAS NO.5380-42-7): 2240 mg/L at 25 °C
Appearance of 2-(Methoxycarbonyl)thiophene (CAS NO.5380-42-7): clear light yellow liquid
Canonical SMILES: COC(=O)C1=CC=CS1
InChI: InChI=1S/C6H6O2S/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
InChIKey: PGBFYLVIMDQYMS-UHFFFAOYSA-N
Toxicity Data With Reference
2-(Methoxycarbonyl)thiophene (CAS NO.5380-42-7) hasn't been listed as a carcinogenby ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.
Safety Profile
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
Specification
2-(Methoxycarbonyl)thiophene , its cas register number is 5380-42-7. It also can be called Methyl thenoate . 2-(Methoxycarbonyl)thiophene (CAS NO.5380-42-7) is not compatible with strong oxidizing agents. And its hazardous decomposition products are carbon monoxide, oxides of sulfur, carbon dioxide. While, its hazardous polymerization has not been reported.