2,2-Dimethylthiopropionamide
- CAS No.
- 630-22-8
- Chemical Name:
- 2,2-Dimethylthiopropionamide
- Synonyms
- NSC 381432;Thiopivalamide;Neopentanethioamide;Dalafenil Impurity 4;2,2-Trimethylthioacetamide;2,2-DIMETHYLTHIOPROPIOMIDE;2,2-DIMETHYLTHIOPROPIONAMIDE;2,2,2-Trimethylthioacetamide,;2,2,2-Dimethylthiopropionamide;Propanethioamide, 2,2-dimethyl-
- CBNumber:
- CB61449866
- Molecular Formula:
- C5H11NS
- Molecular Weight:
- 117.21
- MOL File:
- 630-22-8.mol
- MSDS File:
- SDS
- Modify Date:
- 2025/3/10 17:18:44
| Melting point | 117-119℃ (ethyl acetate hexane ) |
|---|---|
| Boiling point | 162.1±23.0℃ (760 Torr) |
| Density | 0.978±0.06 g/cm3 (20 ºC 760 Torr) |
| Flash point | 51.9±22.6℃ |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform, Ethyl Acetate |
| form | Solid |
| pka | 13.33±0.29(Predicted) |
| color | White |
| Water Solubility | Soluble in water (10 g/L) (25°C). |
| InChI | InChI=1S/C5H11NS/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7) |
| InChIKey | FJZJUSOFGBXHCV-UHFFFAOYSA-N |
| SMILES | C(N)(=S)C(C)(C)C |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
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|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302 | |||||||||
| Precautionary statements | P264-P270-P301+P312a-P330-P501a | |||||||||
| HS Code | 2930909899 | |||||||||
| NFPA 704 |
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2,2-Dimethylthiopropionamide price More Price(2)
2,2-Dimethylthiopropionamide Chemical Properties,Uses,Production
Uses
2,2-Dimethylthiopropionamide is used as a reagent to synthesize Dabrafenib, an inhibitor of BRAF kinase that is used to treat BRAF V600-mutation positive carcinoma. BRAF is a gene that mediates cell growth and is activated by mutations caused by cancer. 2,2-Dimethylthiopropionamide is also used as a reagent to prepare sulfonyl-substituted 4,5-diarylthiazoles, compounds that act as cyclooxygenase-2 inhibitors (anti-inflammatory agents).
Synthesis
To a round bottom flask (250 mL) was added trimethyl amine (5.0 g, 0.049 mol) and Lawesson's reagent (8.0g, 0.020 mol), dissolved in THF (100 mL), nitrogen, 80° C oil. The reaction bath for 4 hours. TLC monitors the reaction progress. After completion of the reaction, the solvent was removed by rotary evaporation; the residue was purified by silica gel column chromatography (petroleum ether: 1: ethyl acetate = 10) to give a white solid 2,2-Dimethylthiopropionamide (3.7 g, 65percent yield).
2,2-Dimethylthiopropionamide Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| Flavi Pharma | +91-8583858185 +91-9637442284 | Hyderabad, India | 275 | 58 | Inquiry |
| CLEARSYNTH LABS LTD. | +91-22-45045900 | Hyderabad, India | 6257 | 58 | Inquiry |
| A.J Chemicals | 91-9810153283 | New Delhi, India | 6100 | 58 | Inquiry |
| Alfa Aesar | 1 800 209 7001 | Maharashtra, India | 6905 | 58 | Inquiry |
| Pharmaffiliates Analytics and Synthetics P. Ltd | +91-172-5066494 | Haryana, India | 6739 | 58 | Inquiry |
| Enki Biopharmaceuticals (Shanghai) Limited | +86-0086-2157680326 +8613916707528 | China | 48 | 58 | Inquiry |
| Hebei Chuanghai Biotechnology Co., Ltd | +8615531157085 | China | 8808 | 58 | Inquiry |
| Hebei Mujin Biotechnology Co.,Ltd | +86 13288715578 +8613288715578 | China | 12809 | 58 | Inquiry |
| Wuhan Fortuna Chemical Co., Ltd | +86-027-59207850 | China | 5975 | 58 | Inquiry |
| Zibo Hangyu Biotechnology Development Co., Ltd | +86-0533-2185556 +8615965530500 | China | 10983 | 58 | Inquiry |