Basic information
- Name:
1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-
- Superlist Name:
- Pinacolborane
- CAS No.:
25015-63-8
- Molecular Structure:
- Formula:
- C6H13BO2
- Molecular Weight:
- 127.98
- Synonyms:
- Pinacolatoborane;4,4,5,5-Tetramethyl-1,3,2-dioxaborolane;2,3-Butanediol,2,3-dimethyl-, cyclic ester with boronic acid (8CI);
- Density:
- 0.882 g/cm3
- Boiling Point:
- 109.9 °C at 760 mmHg
- Flash Point:
- 20.2 °C
- Appearance:
- Clear colorless liquid
- Hazard Symbols:
F,
Xi- Risk Codes:
- 11-15-36/37/38-19
- Safety Description:
- 16-43-8-37/39-26-33-29 Details
- Transport Information:
- UN 3398 4.3/PG 2
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Specification
The Pinacolborane, with the CAS registry number Pinacolborane 25015-63-8, is also known as 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-. It belongs to the product categories of Boron Derivatives; Heterocycles. This chemical's molecular formula is C6H13BO2 and molecular weight is 127.98. What's more, both its IUPAC name and systematic name are the same which is called 4,4,5,5-Tetramethyl-1,3,2-dioxaborolane. It should be kept in a cold and dry place.
Physical properties about Pinacolborane are: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Polar Surface Area: 18.46 Å2; (5)Flash Point: 20.2 °C; (6)Enthalpy of Vaporization: 33.41 kJ/mol; (7)Boiling Point: 109.9 °C at 760 mmHg; (8)Vapour Pressure: 28.6 mmHg at 25 °C.
Uses of Pinacolborane: (1) It is used for synthesis of unsymmetrical biaryls via aromatic C-H borylation-cross-coupling sequence; (2) it is used to produce other chemicals. For example, it can react with 2-Iodo-thiophene to get 4,4,5,5-Tetramethyl-2-thiophen-2-yl-[1,3,2]dioxaborolane. The reaction occurs with reagent Et3N and solvent dioxane at temperature of 80 °C. The reaction time is 144 hours. The yield is 96 %.
![Pinacolborane can react with 2-Iodo-thiophene to get 4,4,5,5-Tetramethyl-2-thiophen-2-yl-[1,3,2]dioxaborolane.](/UserFilesUpload/Uses of Pinacolborane.jpg)
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. And it may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. Therefore, you should wear suitable gloves and eye/face protection. What's more, you should keep away from sources of ignition and avoid contacting with skin and eyes. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O1BOC(C)(C)C1(C)C
(2) InChI: InChI=1S/C6H13BO2/c1-5(2)6(3,4)9-7-8-5/h7H,1-4H3
(3) InChIKey: UCFSYHMCKWNKAH-UHFFFAOYSA-N