tert-butyl prop-2-ynoate
tert-butyl propiolate
CAS: 13831-03-3
Molecular Formula: C7H10O2
tert-butyl prop-2-ynoate - Names and Identifiers
| Name | tert-butyl propiolate |
| Synonyms | tert-Butylpropiolate TERT-BUTYL PROPIOLATE tert-butyl propiolate Propiolicacidbutylester tert-butyl prop-2-ynoate Propynoic acid tert-butyl ester Propiolic acid tert-butyl ester PROPIOLIC ACID TERT-BUTYL ESTER TERT-BUTYL ACETYLENECARBOXYLATE PROPARGYLIC ACID TERT-BUTYL ESTER 2-Propynoic acid,1,1-diMethylethyl ester Propargylic Acid tert-Butyl EsterPropiolic Acid tert-Butyl Ester |
| CAS | 13831-03-3 |
| InChI | InChI=1/C7H10O2/c1-5-6(8)9-7(2,3)4/h1H,2-4H3 |
| InChIKey | XGTPDIIFEPTULX-UHFFFAOYSA-N |
tert-butyl prop-2-ynoate - Physico-chemical Properties
| Molecular Formula | C7H10O2 |
| Molar Mass | 126.15 |
| Density | 0.919 g/mL at 25 °C (lit.) |
| Melting Point | 18-20 °C (lit.) |
| Boling Point | 52-53 °C/27 mmHg (lit.) |
| Flash Point | 82°F |
| Vapor Presure | 2.48mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear colorless to yellow |
| BRN | 1747175 |
| Storage Condition | Keep in dark place,Inert atmosphere,2-8°C |
| Sensitive | Air Sensitive |
| Refractive Index | n20/D 1.418(lit.) |
tert-butyl prop-2-ynoate - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R10 - Flammable R36/37/38 - 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. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | UN 3272 3/PG 3 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 4.5-10-23 |
| HS Code | 29161995 |
| Hazard Class | 3.1 |
| Packing Group | II |
tert-butyl prop-2-ynoate - Reference Information
| introduction | tert-butyl propionyl ester is an organic intermediate used to prepare heterocyclic, alkaloid and unsaturated amino acids. tert-butyl propionic acid ester can be obtained by condensation of propionic acid and tert-butyl alcohol. |
| Preparation | After dissolving about 60g of compound 17 (propionic acid), about 100gN,N'-dicyclohexylcarbodiimide, about 10 g4-(dimethylamino) pyridine and about 20g of tert-butanol in tetrahydrofuran, the mixture is stirred for about 24h. Then, the product of the reaction was extracted with dichloromethane and water, and about 80g of tert-butyl propionyl ester was obtained by chemical drying of the extracted organic layer and purification by column chromatography. |
| use | used to prepare heterocyclic, alkaloid and unsaturated amino acids. |
Last Update：2024-04-10 22:29:15
