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223595-20-8

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Basic Information
CAS No.: 223595-20-8
Name: 2,3-Dihydro-(1R)-methyl-5-(tetrahydro-4H-1,3,6,2-dioxazaborocin-2-yl)-2-(triphenylmethyl)-1H-isoindole
Article Data: 1
Molecular Structure:
Molecular Structure of 223595-20-8 (2,3-Dihydro-(1R)-methyl-5-(tetrahydro-4H-1,3,6,2-dioxazaborocin-2-yl)-2-(triphenylmethyl)-1H-isoindole)
Formula: C32H33BN2O2
Molecular Weight: 488.437
Synonyms: 2-((1R)-1-Methyl-2-trityl-2,3-dihydro-1H-isoindol-5-yl)-1,3,6,2-dioxazaborocane;(R)-5-(1,3,6,2-Dioxazaborocan-2-yl)-1-methyl-2-tritylisoindoline;Dioxazaborocin-2-yl)-2-(triphenylmethyl)-1H-isoindole;
Density: 1.195 g/cm3
Boiling Point: 612.181 °C at 760 mmHg
Flash Point: 324.035 °C
PSA: 33.73000
LogP: 5.15360
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Specification

The systematic name of (R)-5-(1,3,6,2-Dioxazaborocan-2-yl)-1-methyl-2-tritylisoindoline is (1R)-5-(1,3,6,2-dioxazaborocan-2-yl)-1-methyl-2-trityl-2,3-dihydro-1H-isoindole. With the CAS registry number 223595-20-8, it is also named as -((1R)-1-Methyl-2-trityl-2,3-dihydro-1H-isoindol-5-yl)-1,3,6,2-dioxazaborocane. In addition, its molecular formula is C32H33BN2O2 and its molecular weight is 488.43.

The other characteristics of (R)-5-(1,3,6,2-Dioxazaborocan-2-yl)-1-methyl-2-tritylisoindoline can be summarized as: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 33.73 Å2; (5)Index of Refraction: 1.646; (6)Molar Refractivity: 148.309 cm3; (7)Molar Volume: 408.836 cm3; (8)Polarizability: 58.794×10-24cm3; (9)Surface Tension: 53.707 dyne/cm; (10)Density: 1.195 g/cm3; (11)Flash Point: 324.035 °C; (12)Enthalpy of Vaporization: 90.882 kJ/mol; (13)Boiling Point: 612.181 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O1B(OCCNCC1)c2ccc6c(c2)CN(C(c3ccccc3)(c4ccccc4)c5ccccc5)[C@@H]6C
(2)InChI: InChI=1/C32H33BN2O2/c1-25-31-18-17-30(33-36-21-19-34-20-22-37-33)23-26(31)24-35(25)32(27-11-5-2-6-12-27,28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-18,23,25,34H,19-22,24H2,1H3/t25-/m1/s1
(3)InChIKey: RQCOQFKQRXOKEP-RUZDIDTEBC
(4)Std. InChI: InChI=1S/C32H33BN2O2/c1-25-31-18-17-30(33-36-21-19-34-20-22-37-33)23-26(31)24-35(25)32(27-11-5-2-6-12-27,28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-18,23,25,34H,19-22,24H2,1H3/t25-/m1/s1
(5)Std. InChIKey: RQCOQFKQRXOKEP-RUZDIDTESA-N