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Isopropoxyboronic acid pinacol ester

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Name

Isopropoxyboronic acid pinacol ester

EINECS -0
CAS No. 61676-62-8 Density 0.925 g/cm3
Solubility Melting Point
Formula C9H19BO3 Boiling Point 150.306 °C at 760 mmHg
Molecular Weight 186.06 Flash Point 23.721 °C
Transport Information UN 1993 3/PG 3 Appearance colorless liquid
Safety 16-26-36 Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 61676-62-8 (1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-(1-methylethoxy)-) Hazard Symbols IrritantXi
Synonyms

Boric acid,cyclic tetramethylethylene isopropyl ester (7CI);2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(1-methylethoxy)-1,3,2-dioxaborolane;Isopropoxy4,4,5,5-Tetramethyl-1,3,2-dioxaborolane;Isopropyl pinacol borate;Isopropoxyboronic acid pinacol ester;

 

Isopropoxyboronic acid pinacol ester Specification

The 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-(1-methylethoxy)-, with the CAS registry number 61676-62-8, is also known as Isopropoxyboronic acid pinacol ester. It belongs to the product categories of Boronic ester; Organoborons; B (Classes of Boron Compounds); Boric Acid Esters; Boric Acid Triesters; Boronic Acids and Derivatives; Organoborates; Organometallic Reagents. This chemical's molecular formula is C9H19BO3 and molecular weight is 186.06. What's more, its systematic name is 2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. The product should be sealed and stored in containers with dry inert gas which are placed in cool and dry places. Moreover, it should be protected from oxides, water and moisture.

Physical properties of 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-(1-methylethoxy)- are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 27.69 Å2; (5)Index of Refraction: 1.415; (6)Molar Refractivity: 50.354 cm3; (7)Molar Volume: 201.184 cm3; (8)Polarizability: 19.962×10-24cm3; (9)Surface Tension: 24.267 dyne/cm; (10)Density: 0.925 g/cm3; (11)Flash Point: 23.721 °C; (12)Enthalpy of Vaporization: 37.124 kJ/mol; (13)Boiling Point: 150.306 °C at 760 mmHg; (14)Vapour Pressure: 4.924 mmHg at 25°C.

Uses of 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-(1-methylethoxy)-: it can be used to produce 5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-2,3-dihydro-thieno[3,4-b][1,4]dioxine at the temperature of -78 - 20 °C. It will need reagent n-BuLi and solvent tetrahydrofuran with the reaction time of 6 hours. The yield is about 71%.

1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-(1-methylethoxy)- can be used to produce 5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-2,3-dihydro-thieno[3,4-b][1,4]dioxine at the temperature of -78 - 20 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to eyes and may cause sensitisation by skin contact. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)OC(C)C
(2)Std. InChI: InChI=1S/C9H19BO3/c1-7(2)11-10-12-8(3,4)9(5,6)13-10/h7H,1-6H3
(3)Std. InChIKey: MRWWWZLJWNIEEJ-UHFFFAOYSA-N 

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