AG00H36M

937048-76-5 | 2(1H)-ISOQUINOLINECARBOXYLIC ACID, 3,4-DIHYDRO-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER

AG00H36M

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CAS Number	937048-76-5
Catalog Number	AG00H36M(AGN-PC-0WAK39)
Chemical Name	2(1H)-ISOQUINOLINECARBOXYLIC ACID, 3,4-DIHYDRO-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER
IUPAC Name	tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
InChI	InChI=1S/C20H30BNO4/c1-18(2,3)24-17(23)22-11-10-14-8-9-16(12-15(14)13-22)21-25-19(4,5)20(6,7)26-21/h8-9,12H,10-11,13H2,1-7H3
InChI Key	UPDWDCOAUJYOTG-UHFFFAOYSA-N
MDL Number	MFCD11044674
Molecular Formula	C20H30BNO4
Molecular Weight	359.2675
SMILES	O=C(N1CC2=C(C=CC(B3OC(C)(C)C(C)(C)O3)=C2)CC1)OC(C)(C)C
Synonyms	937048-76-5, tert-Butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate, (2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)boronic acid pinacol ester, 2-N-Boc-7-BPin-1,2,3,4-tetrahydroisoquinoline, 2-?Boc-?1,?2,?3,?4-?tetrahydroisoquinoli?ne-?7-?boronic acid pinacol ester, SCHEMBL2515678, UPDWDCOAUJYOTG-UHFFFAOYSA-N, 4628AJ, MFCD11044674, AKOS015900867, ZINC170024447, CS-W000580, SB18410, AS-32957, tert-butyl 7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate, DB-079669, FT-0716462, I14-16295, 1,1-dimethylethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate, 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester, 7-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester, 7-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,4-dihydro-1H-Isoquinoline-2-carboxylic acid tert-butylester, tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate, C20H30BNO4,

Complexity	526
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	359.227g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	359.273g/mol
Monoisotopic Mass	359.227g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	48A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number