2-Boc-5-bromo-1,2,3,4-tetrahydroisoquinoline - CAS 215184-78-4

Name: 2-Boc-5-bromo-1,2,3,4-tetrahydroisoquinoline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB016934
Product Name:	2-Boc-5-bromo-1,2,3,4-tetrahydroisoquinoline
CAS:	215184-78-4
Synonyms:	5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester; tert-butyl 5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate

Technical Data

IUPAC Name:	tert-butyl 5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate
Description:	2-Boc-5-bromo-1,2,3,4-tetrahydroisoquinoline (CAS# 215184-78-4) is an intermediate used to prepare 4,1-benzoxazepines as somatostatin agonists.
Molecular Weight:	312.20
Molecular Formula:	C14H18BrNO2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2Br
InChI:	InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-8-7-11-10(9-16)5-4-6-12(11)15/h4-6H,7-9H2,1-3H3
InChI Key:	YSAAGRAKROVFRY-UHFFFAOYSA-N
Boiling Point:	382.4 °C at 760 mmHg
Density:	1.353 g/cm³
MDL:	MFCD08752227
LogP:	3.68020

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Complexity:	313
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	311.05209
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	311.05209
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3