CAS No.885693-20-9,TERT-BUTYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3,6-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	885693-20-9
Name:	TERT-BUTYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3,6-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE
Article Data:	19

Formula:	C₁₆H₂₈BNO₄
Molecular Weight:	309.214
Synonyms:	1(2H)-Pyridinecarboxylicacid, 5,6-dihydro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,1,1-dimethylethyl ester (9CI);5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylicacid tert-butyl ester;
EINECS:	1592732-453-0
Density:	1.055 g/cm³
Melting Point:	105 °C
Boiling Point:	348.007 °C at 760 mmHg
Flash Point:	164.269 °C
PSA:	48.00000
LogP:	3.12290

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Specification

The systematic name of 1-Boc-3,6-dihydro-2H-pyridine-5-boronic acid pinacol ester is tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate. With the CAS registry number 885693-20-9, it is also named as 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester. The product's molecular formula is C₁₆H₂₈BNO₄ and its molecular weight is 309.21.

The other characteristics of 1-Boc-3,6-dihydro-2H-pyridine-5-boronic acid pinacol ester can be summarized as: (1)Nominal mass: 309; (2)Average mass: 309.209; (3)Monoisotopic mass: 309.211; (4)H bond acceptors: 5; (5)H bond donors: 0; (6)Freely Rotating Bonds: 3; (7)Polar Surface Area: 48 Å²; (8)Index of Refraction: 1.488; (9)Molar Refractivity: 84.439 cm³; (10)Molar Volume: 292.996 cm³; (11)Polarizability: 33.474×10^-24cm³; (12)Surface Tension: 34.724 dyne/cm; (13)Density: 1.055 g/cm³; (14)Flash Point: 164.269 °C; (15)Enthalpy of Vaporization: 59.235 kJ/mol; (16)Boiling Point: 348.007 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:B1(OC(C(O1)(C)C)(C)C)C2=CCCN(C2)C(=O)OC(C)(C)C
(2)InChI:InChI=1/C16H28BNO4/c1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17/h9H,8,10-11H2,1-7H3
(3)InChIKey:KEEIJBAOTMNSEN-UHFFFAOYAC
(4)Std. InChI:InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17/h9H,8,10-11H2,1-7H3
(5)Std. InChIKey:KEEIJBAOTMNSEN-UHFFFAOYSA-N