3-phenylprop-2-yn-1-ol
3-Phenyl-2-propyn-1-ol
CAS: 1504-58-1
Molecular Formula: C9H8O
3-phenylprop-2-yn-1-ol - Names and Identifiers
| Name | 3-Phenyl-2-propyn-1-ol |
| Synonyms | 1-phenylprop-2-yn-1-ol 3-Phenyl-2-propyn-1-ol 1-PHENYL-1-PROPYN-3-OL 3-PHENYL-2-PROPYN-1-OL 3-phenylprop-2-yn-1-ol 3-Phenylprop-2-yn-1-ol PHENYLPROPARGYL ALCOHOL 2-Propyn-1-ol, 3-phenyl- 3-Phenylpropargyl alcohol 3-PHENYLPROPARGYL ALCOHOL 1-HYDROXYMETHYL-2-PHENYLACETYLENE |
| CAS | 1504-58-1 |
| EINECS | 224-064-6 |
| InChI | InChI=1/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,8H2 |
| InChIKey | NITUNGCLDSFVDL-UHFFFAOYSA-N |
3-phenylprop-2-yn-1-ol - Physico-chemical Properties
| Molecular Formula | C9H8O |
| Molar Mass | 132.16 |
| Density | 1.06 g/mL at 25 °C (lit.) |
| Melting Point | 119-122 °C |
| Boling Point | 129-130 °C/10 mmHg (lit.) |
| Flash Point | >230°F |
| Solubility | Soluble in ether, acetone, benzene, chloroform, ethyl Acetate, methanol. |
| Vapor Presure | 0.019mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.08 |
| Color | Clear colorless to yellow |
| BRN | 2040911 |
| pKa | 12.94±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.5850(lit.) |
| Physical and Chemical Properties | Boiling Point: 129 ℃ density: 1.078 |
3-phenylprop-2-yn-1-ol - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| HS Code | 29062990 |
| Hazard Class | IRRITANT |
3-phenylprop-2-yn-1-ol - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | 3-phenyl-2-propyn-1-ol is an organic intermediate, it can be prepared from iodobenzene and propan-2-yn-1-ol by coupling. Can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development process and chemical production process. |
| preparation | iodobenzene 8.0g(39.2mmol) was dissolved in 50ml of tetrahydrofuran, triethylamine 7.93g(78.4mmol), bis (triphenylphosphine) palladium (II) dichloride 566mg(0.784mmol) and copper (I) iodide 519mg(2.74mmol) were added in an ice bath, stir for 30 min. 10ml of a 2.20g(39.2mmol) solution of propargyl alcohol in tetrahydrofuran was added dropwise thereto with a dropping funnel, and then the mixture was warmed to room temperature and stirred for 30 minutes, the reaction was terminated after passing through a short column (silica gel 64-210 μm diameter, 1.5cm internal diameter x 25cm height). The product was washed three times with saturated aqueous sodium chloride solution, dried over sodium sulfate and concentrated to give 6.29g of a brown oily substance. The material was treated with silica gel column chromatography (100% G, internal diameter x 40cm length) using hexane-ethyl acetate (0-20-, step gradient method) as eluent, 3-phenyl-2-propyn-1-ol (brown oily substance, 4.56g) was obtained (yield 88%). |
Last Update：2024-04-09 20:52:54
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