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Cas Database |
| Name |
Boronicacid, B-[(1E)-3,3-dimethyl-1-buten-1-yl]- |
EINECS | N/A |
| CAS No. | 86595-37-1 | Density | 0.926g/cm3 |
| PSA | 40.46000 | LogP | 0.60070 |
| Solubility | Slightly soluble in water. | Melting Point |
78-80 °C |
| Formula | C6H13BO2 | Boiling Point | 212.4°C at 760 mmHg |
| Molecular Weight | 127.979 | Flash Point | 82.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
Boronicacid, (3,3-dimethyl-1-butenyl)-, (E)-;Boronic acid, [(1E)-3,3-dimethyl-1-butenyl]-(9CI);(E)-3,3-Dimethyl-1-butenylboronic acid;[(E)-2-tert-Butylethenyl]boronicacid;trans-3,3-Dimethylbut-1-en-1-ylboronic acid; |
Article Data | 9 |
Boronicacid, B-[(1E)-3,3-dimethyl-1-buten-1-yl]- Specification
The Boronicacid, B-[(1E)-3, 3-dimethyl-1-buten-1-yl]-, with the CAS registry number of 86595-37-1, is also known as 3, 3-Dimethyl-1-butenylboronic acid and 2-t-Butyl-E-vinylboronic acid. It belongs to the product categories of Blocks; Boronic Acids; Boronic acids. This chemical's molecular formula is C6H13BO2 and molecular weight is 127.98. What's more, its IUPAC name is [(1E)-3, 3-Dimethylbut-1-en-1-yl]boronic acid.
Uses: it is used to produce other chemicals. For example, it is used to produce 3, 4-Dimethylene-cyclopentane-1, 1-dicarboxylic acid diethyl ester by reaction with 2-Allyl-2-(2-bromo-allyl)-malonic acid diethyl ester. Meanwhile, it will produce another chemical 3-(4, 4-Dimethyl-pent-2-enyl)-4-methylene-cyclopentane-1, 1-dicarboxylic acid diethyl ester.
This reaction needs reagents Cesium carbonate and Tetrakis(triphenylphosφne)palladium. Meanwhile, it needs solvent Ethanol. Other condition of this reaction is reaction time of 2 hours at 70℃. The yield is about 58%.
You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)/C=C/C(C)(C)C
(2) InChI: InChI=1/C6H13BO2/c1-6(2,3)4-5-7(8)9/h4-5,8-9H,1-3H3/b5-4+
(3) InChIKey: CTIWKIMYFQSVBZ-SNAWJCMRBM
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