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8-Azabicyclo[3.2.1]oct-2-ene-8-carboxylicacid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester(CAS No. 900503-08-4)

8-Azabicyclo[3.2.1]oct-2-ene-8-carboxylicacid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester C18H30BNO4 (cas 900503-08-4) Molecular Structure

900503-08-4 Structure

Identification and Related Records

【Name】
8-Azabicyclo[3.2.1]oct-2-ene-8-carboxylicacid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
【CAS Registry number】
900503-08-4
【Synonyms】
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid 1,1-dimethylethyl ester
【Molecular Formula】
C18H30BNO4 (Products with the same molecular formula)
【Molecular Weight】
335.25
【Inchi】
InChI=1/C18H30BNO4/c1-16(2,3)22-15(21)20-13-8-9-14(20)11-12(10-13)19-23-17(4,5)18(6,7)24-19/h10,13-14H,8-9,11H2,1-7H3
【MOL File】
900503-08-4.mol

Chemical and Physical Properties

【Density】
1.08
【Boiling Point】
378.2 °C at 760 mmHg
【Refractive Index】
1.507
【Flash Point】
378.2 °C at 760 mmHg

Safety and Handling

【Specification】

The 8-(tert-Butoxy)carbonyl-8-azabicyclo[3.2.1]oct-2-ene-3-boronic acid pinacol ester is an organic compound with the formula C18H30BNO4. The systematic name of this chemical is tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate. With the CAS registry number 900503-08-4, it is also named as 3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-8-aza-bicyclo[3.2.1]oct-2-ene-8-carboxylic acid tert-butyl ester.

Physical properties about 8-(tert-Butoxy)carbonyl-8-azabicyclo[3.2.1]oct-2-ene-3-boronic acid pinacol ester are: (1)#H bond acceptors: 5; (2)#Freely Rotating Bonds: 3; (3)Polar Surface Area: 48 Å2; (4)Index of Refraction: 1.507; (5)Molar Refractivity: 91.61 cm3; (6)Molar Volume: 307.8 cm3; (7)Polarizability: 36.31×10-24cm3; (8)Surface Tension: 36.7 dyne/cm; (9)Density: 1.08 g/cm3; (10)Flash Point: 182.5 °C; (11)Enthalpy of Vaporization: 62.6 kJ/mol; (12)Boiling Point: 378.2 °C at 760 mmHg; (13)Vapour Pressure: 6.4E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3CCC(C2)N3C(=O)OC(C)(C)C
(2)InChI: InChI=1/C18H30BNO4/c1-16(2,3)22-15(21)20-13-8-9-14(20)11-12(10-13)19-23-17(4,5)18(6,7)24-19/h10,13-14H,8-9,11H2,1-7H3
(3)InChIKey: JNHGCLCLMOCPCQ-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C18H30BNO4/c1-16(2,3)22-15(21)20-13-8-9-14(20)11-12(10-13)19-23-17(4,5)18(6,7)24-19/h10,13-14H,8-9,11H2,1-7H3
(5)Std. InChIKey: JNHGCLCLMOCPCQ-UHFFFAOYSA-N

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