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CAS No.: | 1048970-17-7 |
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Name: | tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C16H30BNO4 |
Molecular Weight: | 311.229 |
Synonyms: | tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate |
Density: | 1.03 g/cm3 |
Melting Point: | 60-65°C |
Boiling Point: | 358.8 °C at 760 mmHg |
Flash Point: | 170.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 48.00000 |
LogP: | 3.41760 |
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The 1-Boc-piperidin-4-ylboronic acid pinacol ester ,its cas register number is 1048970-17-7. The Systematic name about this chemical is Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate .This chemical belongs to the Alkyl and Organoborons. There are some first aid measures: After inhalation, please supply fresh air. If required, provide artificial respiration, and keep patient warm, also consult doctor if symptoms persist; After skincontact, please seek immediate medical advice, then instantly wash with water and soap and rinse thoroughly; After eye contact, please seek immediate medical advice, and rinse opened eye for several minutes under running water. Then consult doctor; After swallowing, please seek immediate medical advice.
Following are the chemical properties about 1-Boc-piperidin-4-ylboronic acid pinacol ester :(1)#H bond acceptors: 5 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 3 ; (4)Polar Surface Area: 48Å2 ; (5)Index of Refraction: 1.475 ; (6)Molar Refractivity: 84.73 cm3 ; (7)Molar Volume: 300.4 cm3 ; (8)Polarizability: 33.59x10-24cm3 ; (9)Surface Tension: 33.9 dyne/cm ; (10)Enthalpy of Vaporization: 60.43 kJ/mol ; (11)Vapour Pressure: 2.49E-05 mmHg at 25°C
This chemical can be described computed from structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)C2CCN(CC2)C(=O)OC(C)(C)
(2)InChI: InChI=1/C16H30BNO4/c1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h12H,8-11H2,1-7H3
(3)InChIKey: IBLQMWKHENBVJE-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C16H30BNO4/c1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h12H,8-11H2,1-7H3
(5)Std. InChIKey: IBLQMWKHENBVJE-UHFFFAOYSA-N