N-Boc-4-bromoindoline - CAS 885272-46-8

Catalog:	BB038924
Product Name:	N-Boc-4-bromoindoline
CAS:	885272-46-8
Synonyms:	4-bromo-2,3-dihydroindole-1-carboxylic acid tert-butyl ester; tert-butyl 4-bromo-2,3-dihydroindole-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-bromo-2,3-dihydroindole-1-carboxylate
Description:	N-Boc-4-bromoindoline (CAS# 885272-46-8) is a useful research chemical.
Molecular Weight:	298.18
Molecular Formula:	C13H16BrNO2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC2=C1C=CC=C2Br
InChI:	InChI=1S/C13H16BrNO2/c1-13(2,3)17-12(16)15-8-7-9-10(14)5-4-6-11(9)15/h4-6H,7-8H2,1-3H3
InChI Key:	DUZIJTYKDFFQDJ-UHFFFAOYSA-N
LogP:	3.81170

Publication Number	Title	Priority Date
WO-2021149767-A1	Heterocyclic derivative	20200122
WO-2021141041-A1	Therapeutic agent for tauopathies	20200107
WO-2021039961-A1	Ring-fused pyrazole derivative	20190830
WO-2020017587-A1	Pyridazinone derivative	20180719
CN-112672997-A	Pyridazinone derivatives	20180719

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Related Functional Groups

Indolines

[2759-12-8]
Indolin-7-amine
[32372-82-0]
Isoindoline hydrochloride
[1427475-17-9]
N-(3-Indolinylmethyl)benzylamine
[14204-27-4]
N-(Phenylthio)phthalimide
[885272-46-8]
N-Boc-4-bromoindoline
[98660-18-5]
BLUE 203

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Complexity:	300
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	297.03644
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	297.03644
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4