1-Boc-4-aminoindole - CAS 885270-30-4

Catalog:	BB038915
Product Name:	1-Boc-4-aminoindole
CAS:	885270-30-4
Synonyms:	4-amino-1-indolecarboxylic acid tert-butyl ester; tert-butyl 4-aminoindole-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-aminoindole-1-carboxylate
Description:	1-Boc-4-aminoindole (CAS# 885270-30-4) is used as a reactant in the preparation of 7H-pyrrolo[2,3-H]quinazoline compounds as therapeutic mTOR kinase and PI3 kinase inhibitors.
Molecular Weight:	232.28
Molecular Formula:	C13H16N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2N
InChI:	InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-8-7-9-10(14)5-4-6-11(9)15/h4-8H,14H2,1-3H3
InChI Key:	OKLWIGZVXJTALB-UHFFFAOYSA-N
Boiling Point:	384.2 ℃ at 760 mmHg
Density:	1.16 g/cm³
LogP:	3.58790

Publication Number	Title	Priority Date
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
KR-20200076655-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
WO-2020130214-A1	Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof	20181219
KR-20200076808-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20181219
KR-102128509-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20181219

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Related Functional Groups

Amines and Anilines

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Complexity:	298
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.121177757
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	232.121177757
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6