1-Boc-pyrazole-4-boronic acid pinacol ester supplier

Name
1-Boc-pyrazole-4-boronic acid pinacol ester
EINECS
CAS No. 552846-17-0
Article Data24
CAS DataBase
Density 1.097 g/cm³
Solubility insoluble in water
Melting Point 82-86 °C(lit.)
Formula C₁₄H₂₃BN₂O₄
Boiling Point 387.895 °C at 760 mmHg
Molecular Weight 294.159
Flash Point 188.393 °C
Transport Information
Appearance white to beige crystalline powder
Safety 22-24/25-37/39-26
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols Xn
Synonyms 1,1-Dimethylethyl4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxylate;1-Boc-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-tert-Butoxycarbonyl-4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxylic acidtert-butyl ester;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylic acidtert-butyl ester;tert-Butyl4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrazole-carboxylate;tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxylate;
PSA 62.58000
LogP 1.96550

1-Boc-pyrazole-4-boronic acid pinacol ester Specification

The 1-Boc-pyrazole-4-boronic acid pinacol ester ,its cas register number is 552846-17-0.It also can be called as 1H-Pyrazole-1-carboxylicacid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester and the IUPAC name about this chemical is Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate .It insoluble in water and it can be stored in refrigerator (+4°C).

The 1-Boc-pyrazole-4-boronic acid pinacol ester is a white to beige crystalline powder.It is a dangerous chemical, because it irritating to eyes, respiratory system and skin, also it is harmful if swallowed. In the using process, you need to wear suitable gloves and eye/face protection, and avoid contact with skin and eyes, do not breathe dust, in addition, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Following are the chemical properties about 1-Boc-pyrazole-4-boronic acid pinacol ester (1)#H bond acceptors: 6 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 3 ; (4)Polar Surface Area: 62.58Å² ; (5)Index of Refraction: 1.502 ; (6)Molar Refractivity: 79.133 cm³ ; (7)Molar Volume: 268.24 cm³ ; (8)Polarizability: 31.371x10^-24cm³ ; (9)Surface Tension: 33.803 dyne/cm ; (10)Enthalpy of Vaporization: 63.703 kJ/mol ; (11)Vapour Pressure: 0 mmHg at 25°C

This chemical can be described computed from structure:
(1)Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(=O)OC(C)(C)C
(2)InChI: InChI=1S/C14H23BN2O4/c1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15/h8-9H,1-7H3
(3)InChIKey: IPISOFJLWYBCAV-UHFFFAOYSA-N

Product Name

1-Boc-pyrazole-4-boronic acid pinacol ester

1-Boc-pyrazole-4-boronic acid pinacol ester Specification

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