Methyl 4-oxotetrahydrothiophene-3-carboxylate
- CAS No.
- 2689-68-1
- Chemical Name:
- Methyl 4-oxotetrahydrothiophene-3-carboxylate
- Synonyms
- AKOS 92615;methyl tetrahydro-4-oxo-3-thenoate;4-CARBOMETHOXYTETRAHYDRO-3-THIOPHENE;4-CARBOMETHOXYTETRAHYDRO-3-THIOPHENONE;3-Carbomethoxytetrahydrothiophene-4-one;METHYL 3-OXOTETRAHYDROTHIOPHENE4-CARBOXYLATE;METHYL 4-OXOTETRAHYDROTHIOPHENE-3-CARBOXYLATE;Methyl 4-oxotetrahydrothiophene-3-carboxylate ,97%;Methyl 4-oxotetrahydrothiophene-3-carboxylate, 95+%;tetrahydro-4-oxo-3-thiophenecarboxylicacimethylester
- CBNumber:
- CB3354748
- Molecular Formula:
- C6H8O3S
- Molecular Weight:
- 160.19
- MOL File:
- 2689-68-1.mol
- Modify Date:
- 2023/5/16 17:00:21
| Melting point | 37-38 °C |
|---|---|
| Boiling point | 95 °C |
| Density | 1.309±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C(protect from light) |
| solubility | Chloroform |
| form | Solid |
| pka | 10.52±0.20(Predicted) |
| color | Light Yellow |
| InChI | InChI=1S/C6H8O3S/c1-9-6(8)4-2-10-3-5(4)7/h4H,2-3H2,1H3 |
| InChIKey | LEAKUJFYXNILRB-UHFFFAOYSA-N |
| SMILES | C1SCC(=O)C1C(OC)=O |
| EPA Substance Registry System | 3-Thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester (2689-68-1) |
Methyl 4-oxotetrahydrothiophene-3-carboxylate Chemical Properties,Uses,Production
Chemical Properties
White solid
Uses
Methyl 4-oxotetrahydrothiophene-3-carboxylate is used in the preparation of a new class of neuroleptic agents.
Synthesis
2,3,4,5-Tetrahydro-4-oxo-3-thiophene carboxylic acid, methyl ester (L75a): 25.3 g (1.1 mol) of sodium were implemented in 190 mL abs. methanol to methylate. To methylate solution 70 g (0.360 mol) (L74) was added dropwise at the boiling point and the reaction mixture was heated for 45 min under reflux. The cooling mixture was poured onto a mixture of 500 mL ice and 300 mL water, acidified with 100 mL conc. HCl and the oily precipitating product was brought to crystallize under cooling with ice/sodium chloride bath. The crystals were sucked off, resumed in 100 mL methylene chloride and dried over sodium sulfate and evaporated. There were obtained 16.7 g of pale beige crystals. The aqueous phase was extracted three times with 100 mL of methylene chloride, the organic phase dried over sodium sulfate and evaporated. 30 g of crystalline product Methyl 4-oxotetrahydrothiophene-3-carboxylate was obtained. Yield: 46.7 g of light beige crystals (81 % of theory). mp 29-31 degC. TLC: Bz:MeOH:AcOH = 45:8:4, Rf = 0.75.
Methyl 4-oxotetrahydrothiophene-3-carboxylate Preparation Products And Raw materials
Raw materials
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| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| Innovative Labs | +91-9885794886 +91-9885794886 | Telangana, India | 219 | 58 | Inquiry |
| Clarity Research Laboratory | +91-8008229325 +91-8008229325 | Telangana, India | 96 | 58 | Inquiry |
| CLEARSYNTH LABS LTD. | +91-22-45045900 | Hyderabad, India | 6351 | 58 | Inquiry |
| Capot Chemical Co.,Ltd. | 571-85586718 +8613336195806 | China | 29798 | 60 | Inquiry |
| ATK CHEMICAL COMPANY LIMITED | +undefined-21-51877795 | China | 32760 | 60 | Inquiry |
| CONIER CHEM AND PHARMA LIMITED | +8618523575427 | China | 49391 | 58 | Inquiry |
| career henan chemical co | +86-0371-86658258 +8613203830695 | China | 29826 | 58 | Inquiry |
| Guangzhou Yuheng Pharmaceutical Technology Co., Ltd | +8613580539051 | CHINA | 21149 | 58 | Inquiry |
| Neostar United (Changzhou) Industrial Co., Ltd. | +86-519-519-85557386 | China | 12075 | 58 | Inquiry |
| Xi'an Yutbon Pharmaceutical Technology Co., Ltd | 029-81140587 +8618717328141 | China | 453 | 58 | Inquiry |
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