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| | 2-AMINO-THIOPHENE-3-CARBOXYLIC ACID AMIDE Basic information |
| Product Name: | 2-AMINO-THIOPHENE-3-CARBOXYLIC ACID AMIDE | | Synonyms: | TIMTEC-BB SBB007065;2-AMINO-THIOPHENE-3-CARBOXYLIC ACID AMIDE;2-AMINO-3-THIOPHENECARBOXAMIDE;AKOS B014696;AKOS 93830;ART-CHEM-BB B014696;CHEMBRDG-BB 3014696;2-amino-thiophene-3-3carboxyltc acid amide | | CAS: | 14080-51-4 | | MF: | C5H6N2OS | | MW: | 142.18 | | EINECS: | | | Product Categories: | | | Mol File: | 14080-51-4.mol |  |
| | 2-AMINO-THIOPHENE-3-CARBOXYLIC ACID AMIDE Chemical Properties |
| Melting point | 153-155°C | | Boiling point | 321.8±22.0 °C(Predicted) | | density | 1.423±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C | | form | powder to crystal | | pka | 15.58±0.50(Predicted) | | color | White to Orange to Green | | InChI | InChI=1S/C5H6N2OS/c6-4(8)3-1-2-9-5(3)7/h1-2H,7H2,(H2,6,8) | | InChIKey | WHZIZZOTISTHCT-UHFFFAOYSA-N | | SMILES | C1(N)SC=CC=1C(N)=O | | CAS DataBase Reference | 14080-51-4(CAS DataBase Reference) |
| Hazard Codes | Xi,Xn | | Risk Statements | 22-36-43 | | Safety Statements | 26-36/37 | | WGK Germany | WGK 3 | | HazardClass | IRRITANT | | HS Code | 2934999090 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Eye Irrit. 2
Skin Sens. 1 |
| | 2-AMINO-THIOPHENE-3-CARBOXYLIC ACID AMIDE Usage And Synthesis |
| Synthesis | General procedure for the synthesis of 2-aminothiophene-3-amides from 1,4-dithio-2,5-diol and cyanoacetamide: Triethylamine (36 mL, 256 mmol) was added to a solution of ethanol (400 mL) containing 2-cyanoacetamide (10.8 g, 128 mmol) and 1,4-dithiazan-2,5-diol (19.5 g, 128 mmol). The reaction mixture was stirred at room temperature for 5 minutes and then heated to reflux for 2 hours. After completion of the reaction, the mixture was cooled to room temperature, filtered and concentrated in vacuum. The residue was dissolved in ethyl acetate (400 mL) and washed sequentially with 1 M aqueous sodium hydroxide (200 mL), water (2 x 200 mL) and brine (200 mL). The organic layer was dried over anhydrous sodium sulfate and concentrated in vacuo to give 2-aminothiophene-3-amide (16 g, 113 mmol, 88% yield) as a light yellow solid.LC-MS [M+H]+ m/z 143. | | References | [1] Patent: WO2003/104218, 2003, A1. Location in patent: Page 13
[2] Synthesis (Germany), 2013, vol. 45, # 1, p. 45 - 52
[3] Patent: WO2012/30894, 2012, A1. Location in patent: Page/Page column 87
[4] Tetrahedron Letters, 2007, vol. 48, # 30, p. 5261 - 5264
[5] Journal of Medicinal Chemistry, 2011, vol. 54, # 19, p. 6734 - 6750 |
| | 2-AMINO-THIOPHENE-3-CARBOXYLIC ACID AMIDE Preparation Products And Raw materials |
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