850036-28-1
Cyclopent-1-en-1-ylboronic acid
CAS: 850036-28-1
Molecular Formula: C5H9BO2
850036-28-1 - Names and Identifiers
850036-28-1 - Physico-chemical Properties
| Molecular Formula | C5H9BO2 |
| Molar Mass | 111.94 |
| Density | 1.08±0.1 g/cm3(Predicted) |
| Melting Point | 134-140°C |
| Boling Point | 246.7±33.0 °C(Predicted) |
| Flash Point | 103°C |
| Vapor Presure | 0.00439mmHg at 25°C |
| Appearance | solid |
| Color | white to pale yellow |
| pKa | 9.44±0.20(Predicted) |
| Storage Condition | Inert atmosphere,Store in freezer, under -20°C |
| Refractive Index | 1.482 |
850036-28-1 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R41 - Risk of serious damage to eyes R37/38 - Irritating to 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. S39 - Wear eye / face protection. |
| TSCA | No |
| HS Code | 29319090 |
| Hazard Note | Harmful/Irritant/Keep Cold |
850036-28-1 - Reference Information
| application | cyclopenten-1-ylboronic acid can be used as an intermediate in pharmaceutical synthesis and an intermediate in organic synthesis, and can be used in laboratory research and development and chemical pharmaceutical synthesis. |
| preparation | preparation of cyclopenten-1-ylboronic acid is as follows: preparation of raw material 1-chlorocyclopentene in the first step: 374.2(1.818mol,1.05) phosphorus pentachloride and 863g n-heptane are added to a 2L four-mouth bottle equipped with magnetic stirring, thermometer, condenser tube and tail gas alkali liquid absorption device, the temperature was raised to 70 ℃, 151.4g(1.803mol,1eq) of cyclopentanone was added dropwise, after about 2 hours of dripping, the reaction was continued for half an hour, after cooling to 0 ℃, 0.69kg of 6mol/L sodium hydroxide solution was added dropwise, stirred for one hour, the upper organic layer was separated, and the organic layer was washed once with saturated sodium bicarbonate to obtain 799g of n-hexane solution of 1-chlorocyclopentene, with an internal standard yield of 81.1%; the second step is the preparation of cyclopenten-1-ylboronic acid: T2215.5 g(1.608mol,1.1eq), 22.6g of lithium metal (3.216mol,2.2eq), 678g of tetrahydrofuran are added to a 5L four-mouth bottle equipped with mechanical stirring, thermometer, argon protection device and reflux condenser tube. The heptane solution (1eq) of 1-chlorocyclopentene is added dropwise, after dropping, keep warm at -10 ℃ and stir for 11 hours, GC is controlled. After the reaction is over, add 1.3kg6N hydrochloric acid to adjust PH = 2~3, delaminate, then extract the water layer once with 400g of ethyl acetate, combine the organic layer, distill under reduced pressure at 40 ℃ until no liquid flows, precipitate solid, add 200g of n-heptane -10 ℃ for pulping, filter and dry to obtain 89.3g of white solid cyclopentenene-1-ylboric acid with a yield of 54.5%. |
Last Update：2024-04-10 22:29:15
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Tel: 17505222756
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