AG007XGK

1035235-26-7 | 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester

AG007XGK

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CAS Number	1035235-26-7
Catalog Number	AG007XGK(AGN-PC-0BV9AX)
Chemical Name	2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 5-(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)22-12-11-15-14(13-22)9-8-10-16(15)21-25-19(4,5)20(6,7)26-21/h8-10H,11-13H2,1-7H3
InChI Key	RCPDEZAVXYLSOR-UHFFFAOYSA-N
MDL Number	MFCD11044677
Molecular Formula	C20H30BNO4
Molecular Weight	359.2675
SMILES	O=C(N1CC2=C(C(B3OC(C)(C)C(C)(C)O3)=CC=C2)CC1)OC(C)(C)C
Synonyms	1035235-26-7, tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate, AK102436, RCPDEZAVXYLSOR-UHFFFAOYSA-N, tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylat, SCHEMBL2118147, CTK8B9170, DTXSID40726954, KS-00000Q8V, 0849AA, ANW-62135, MFCD11044677, AKOS016004961, ZINC169746704, DS-3837, SB18409, DA-16081, tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate, AX8233975, TC-150880, 4CH-011920, FT-0708144, ST24025953, 2-N-Boc-5-BPin-1,2,3,4-tetrahydroisoquinoline, A1-10541, tert-Butyl 3,4-Dihydroisoquinoline-2(1H)-carboxylate-5-boronic acid pinacol ester, (2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-5-YL)BORONIC ACID PINACOL ESTER, 1,1-Dimethylethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate, 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester, 5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester, tert-butyl 5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate, C20H30BNO4, 1161362-35-1,

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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number