897374-85-5
2,3(1H)-ISOQUINOLINEDICARBOXYLIC ACID, 3,4-DIHYDRO-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 2-(1,1-DIMETHYLETHYL) 3-ETHYL ESTER
Name2,3(1H)-ISOQUINOLINEDICARBOXYLIC ACID, 3,4-DIHYDRO-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 2-(1,1-DIMETHYLETHYL) 3-ETHYL ESTER
pro_formulaC23 H34 B N O6
1Identification
【Name】
2,3(1H)-ISOQUINOLINEDICARBOXYLIC ACID, 3,4-DIHYDRO-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 2-(1,1-DIMETHYLETHYL) 3-ETHYL ESTER
【CAS】
【MDL】
MFCD11044668
【EnglishSynonyms】
2,3(1H)-ISOQUINOLINEDICARBOXYLIC ACID, 3,4-DIHYDRO-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 2-(1,1-DIMETHYLETHYL) 3-ETHYL ESTER
【pro_formula】
C23 H34 B N O6
【pro_molWeight】
431.334
【Inchi】
InChI=1S/C23H34BNO6/c1-9-28-19(26)18-13-16-12-17(24-30-22(5,6)23(7,8)31-24)11-10-15(16)14-25(18)20(27)29-21(2,3)4/h10-12,18H,9,13-14H2,1-8H3
【InChIKey】
InChIKey=PHJWCFNLPPVUDB-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc3c(c2)CC(N(C3)C(=O)OC(C)(C)C)C(=O)OCC
【MOL File】
2,3(1H)-ISOQUINOLINE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:7
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2,3(1H)-ISOQUINOLINEDICARBOXYLIC ACID, 3,4-DIHYDRO-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 2-(1,1-DIMETHYLETHYL) 3-ETHYL ESTER.cml