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Cyclohexene-1-boronic acid pinacol ester

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Name

Cyclohexene-1-boronic acid pinacol ester

EINECS N/A
CAS No. 141091-37-4 Density 0.955 g/cm3
PSA 18.46000 LogP 3.11820
Solubility N/A Melting Point N/A
Formula C12H21BO2 Boiling Point 232.001 °C at 760 mmHg
Molecular Weight 208.109 Flash Point 94.111 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 141091-37-4 (Cyclohexene-1-boronic acid pinacol ester) Hazard Symbols IrritantXi
Synonyms

2-(1-Cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(1-Cyclohexenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;

Article Data 35

Cyclohexene-1-boronic acid pinacol ester Specification

The Cyclohexene-1-boronic acid pinacol ester is an organic reagent with the formula C12H21BO2. The IUPAC name is 2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. With the CAS registry number 141091-37-4, it is also named as 1,3,2-dioxaborolane, 2-(1-cyclohexen-1-yl)-4,4,5,5-tetramethyl-. The product's categories are alkyl; organoborons; alkenyl; boronate esters; boronic acids and derivatives. It is stable under normal temperature and pressure. In addition, Cyclohexene-1-boronic acid pinacol ester is used as  pharmaceutical intermediates. Furthermore, it must be sealed in the container at 2-8 °C.

The other characteristics of this product can be summarized as: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Index of Refraction: 1.464; (5)Molar Refractivity: 60.171 cm3; (6)Molar Volume: 217.857 cm3; (7)Polarizability: 23.854×10-24 cm3; (8)Surface Tension: 28.383 dyne/cm; (9)Enthalpy of Vaporization: 44.964 kJ/mol; (10)Vapour Pressure: 0.092 mmHg at 25°C; (11)Rotatable Bond Count: 1; (12)Exact Mass: 208.16346; (13)MonoIsotopic Mass: 208.16346; (14)Topological Polar Surface Area: 18.5; (15)Heavy Atom Count: 15; (16)Complexity: 265.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CCCCC2;
2. InChI: InChI=1/C12H21BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h8H,5-7,9H2,1-4H3.

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