13781-67-4
thiophene-3-ethanol
CAS: 13781-67-4
Molecular Formula: C6H8OS
13781-67-4 - Names and Identifiers
| Name | thiophene-3-ethanol |
| Synonyms | 3-THIOPHENEETHANOL thiophene-3-ethanol 2-(3-THIENYL)ETHANOL thiophen-3-ylmethanol 2-(Thien-3-yl)ethan-1-ol 2-(thiophen-3-yl)ethanol 2-(Thiophene-3-yl)ethanol 3-(2-HYDROXYETHYL)THIOPHENE 2-(3-Thienyl)ethanol, 3-(2-Hydroxyethy 2-(3-Thienyl)ethanol, 3-(2-Hydroxyethyl)thiophene 2-(3-Thienyl)ethanol, 3-(2-Hydroxyethyl)thiophene |
| CAS | 13781-67-4 |
| EINECS | 237-434-7 |
| InChI | InChI=1/C5H6OS/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2 |
| InChIKey | YYPNNBPPDFTQFX-UHFFFAOYSA-N |
13781-67-4 - Physico-chemical Properties
| Molecular Formula | C6H8OS |
| Molar Mass | 128.19 |
| Density | 1.144g/mLat 25°C(lit.) |
| Boling Point | 110-111°C14mm Hg(lit.) |
| Flash Point | 199°F |
| Water Solubility | Sparingly soluble in water(0.059 g/L at 25°C). |
| Vapor Presure | 0.177mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.144 |
| Color | Clear colorless to yellow-brown |
| BRN | 107080 |
| pKa | 14.92±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.552(lit.) |
13781-67-4 - Risk and Safety
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 10 |
| HS Code | 29349990 |
13781-67-4 - Reference Information
| LogP | 1.07 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| Use | thiophene-3-ethanol can be used as a pharmaceutical synthesis intermediate, which is used in the production of thienethylamine, ticlopidine, one of the raw materials of drugs containing thiophene structure such as clopidogrel. |
| synthesis method | the optimum technological conditions for the synthesis of thiophen-3-ethanol by sodium metal method are as follows: the initial molar ratio of thiophene to sodium metal is 1.6: 1, the molar ratio of ethylene oxide to sodium metal is 1: 1, the epoxidation temperature is -5 ℃, the reaction time is 30min, the pH value of hydrolysis reaction was 4~6. Through the optimization of the process, the final yield of thiophene -3-ethanol can reach 84%, and the purity is as high as 99.63%. |
Last Update：2024-04-09 20:49:11
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