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

Catalog:	BB063672
Product Name:	2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS:	1035235-26-7
Synonyms:	tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate; tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate; 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester; (2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-5-YL)BORONIC ACID PINACOL ESTER; 2-N-Boc-5-BPin-1,2,3,4-tetrahydroisoquinoline

Technical Data

IUPAC Name:	tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
Description:	2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
Molecular Weight:	359.27
Molecular Formula:	C20H30BNO4
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=C3CCN(CC3=CC=C2)C(=O)OC(C)(C)C
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

Complexity:	526
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	359.2267886
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	359.2267886
Rotatable Bond Count:	3
Topological Polar Surface Area:	48Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0