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CAS No.: | 159624-15-4 |
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Name: | (2-BOC-AMINOPHENYL)BORONIC ACID, PINACOL ESTER |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C17H26BNO4 |
Molecular Weight: | 319.209 |
Synonyms: | Carbamicacid, [2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,1,1-dimethylethyl ester (9CI);Pinacol[N-(tert-butoxycarbonyl)-2-amino-1-phenyl]boronate;tert-ButylN-[2-(4,4,5,5-tetrabutyl-1,3,2-doxaborolan-2-yl)phenyl]carbamate;tert-ButylN-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-Butyl[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate; |
Density: | 1.073 g/cm3 |
Melting Point: | 96-100 °C(lit.) |
Boiling Point: | 383.423 °C at 760 mmHg |
Flash Point: | 185.688 °C |
PSA: | 56.79000 |
LogP: | 3.40580 |
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The Carbamic acid,N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, 1,1-dimethylethylester is an organic compound with the formula C17H26BNO4. The IUPAC name of this chemical is Tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate. With the CAS registry number 159624-15-4, it is also named as 2-(Tert-butoxycarbonylamino)phenylboronic acid, pinacol ester. The product's categories are Amines; Blocks; Boronicacids; Boronic Acids; Heterocyclic Compounds. Besides, it should be stored in a cool, sealed, dry place.
Physical properties about Carbamic acid,N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, 1,1-dimethylethylester are: (1)#H bond acceptors: 5; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 48 Å2; (5)Index of Refraction: 1.504; (6)Molar Refractivity: 88.12 cm3; (7)Molar Volume: 297.3 cm3; (8)Polarizability: 34.93×10-24 cm3; (9)Surface Tension: 36.4 dyne/cm; (10)Density: 1.07 g/cm3; (11)Flash Point: 185.7 °C; (12)Enthalpy of Vaporization: 63.2 kJ/mol; (13)Boiling Point: 383.4 °C at 760 mmHg; (14)Vapour Pressure: 4.4E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C17H26BNO4/c1-15(2,3)21-14(20)19-13-11-9-8-10-12(13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3,(H,19,20)
(2)InChIKey: LVHGGVGVAUJQBB-UHFFFAOYAF
(3)Std. InChI: InChI=1S/C17H26BNO4/c1-15(2,3)21-14(20)19-13-11-9-8-10-12(13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3,(H,19,20)
(4)Std. InChIKey: LVHGGVGVAUJQBB-UHFFFAOYSA-N