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| | (S)-3-(MethylaMino)-1-(2-thienyl)-1-propanol Basic information | | Synthesis |
| Product Name: | (S)-3-(MethylaMino)-1-(2-thienyl)-1-propanol | | Synonyms: | 2-ThiopheneMethanol, a-[2-(MethylaMino)ethyl]-, (aS)-;(S)-N-methyl-3-hydroxy-3-(2-thienyl)propanamine;(1S)-(-)-3-(MethylaMino)-1-(thien-2-yl)propan-1-ol;(S)-α-[2-(MethylaMino)ethyl]-2-thiopheneMethanol;N-Meth;(S)-2-[3-(Methylamino)-1-hydroxypropyl]thiophene;N-Methyl-3-hydroxy-3-(2-thienyl)-3-aMinopropane;Duloxetine EP IMpurity B | | CAS: | 116539-55-0 | | MF: | C8H13NOS | | MW: | 171.26 | | EINECS: | 601-437-5 | | Product Categories: | Amines;Aromatics;Heterocycles | | Mol File: | 116539-55-0.mol |  |
| | (S)-3-(MethylaMino)-1-(2-thienyl)-1-propanol Chemical Properties |
| Melting point | 72.0 to 76.0 °C | | Boiling point | 294.3±35.0 °C(Predicted) | | density | 1.128±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C | | solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) | | form | Solid | | pka | 13.77±0.20(Predicted) | | color | Off-White to Pink | | Major Application | pharmaceutical small molecule | | InChI | InChI=1/C8H13NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6-7,9-10H,4-5H2,1H3/t7-/s3 | | InChIKey | YEJVVFOJMOHFRL-ZETCQYMHSA-N | | SMILES | [C@H](C1SC=CC=1)(O)CCNC |&1:0,r| | | CAS DataBase Reference | 116539-55-0 |
| WGK Germany | WGK 2 | | HS Code | 2934999090 | | Storage Class | 8A - Combustible corrosive hazardous materials | | Hazard Classifications | Acute Tox. 4 Oral
Aquatic Chronic 3
Skin Corr. 1A |
| | (S)-3-(MethylaMino)-1-(2-thienyl)-1-propanol Usage And Synthesis |
| Synthesis | In a 1L four-necked flask equipped with a dropping funnel, stirrer, cooling tube, and thermometer, 114.8 mg (0.42 mmol) of N-methyl-N-isobutoxycarbonyl-3-hydroxy-3-(2-thienyl)propanol and 5 mL of 2-propanol were added, along with 0.2 g of a 30% (v/v) sodium hydroxide aqueous solution. The mixture was allowed to react at 30°C for 24 hours. After the reaction was complete, the reaction solution was concentrated, and the residue was extracted with ethyl acetate. The combined ethyl acetate layers were dried over anhydrous sodium sulfate, and the solvent was evaporated under vacuum. The residue was purified by silica gel column chromatography to give (S)-3-(MethylaMino)-1-(2-thienyl)-1-propanol in 92% yield. Figure 3. Synthetic route of 116539-55-0 (S)-3-(MethylaMino)-1-(2-thienyl)-1-propanol. | | Chemical Properties | White Solid | | Uses | A Duloxetine intermediate. Duloxetine EP Impurity B. |
| | (S)-3-(MethylaMino)-1-(2-thienyl)-1-propanol Preparation Products And Raw materials |
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