4-Indolyl acetate - CAS 5585-96-6

Catalog:	BB029202
Product Name:	4-Indolyl acetate
CAS:	5585-96-6
Synonyms:	4-Acetoxyindole

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Catalog	Size	Price	Stock	Quantity
BB029202	100 g	$799	In stock
BB029202	500 g	$3990	In stock

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Technical Data

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Computed Properties

IUPAC Name:	1H-indol-4-yl acetate
Description:	4-Indolyl acetate is a useful intermediate for organic synthesis of Psilocine and Psilocine analogs.
Molecular Weight:	175.18
Molecular Formula:	C10H9NO2
Canonical SMILES:	CC(=O)OC1=CC=CC2=C1C=CN2
InChI:	InChI=1S/C10H9NO2/c1-7(12)13-10-4-2-3-9-8(10)5-6-11-9/h2-6,11H,1H3
InChI Key:	ZXDMUHFTJWEDEF-UHFFFAOYSA-N
Boiling Point:	339.1 °C at 760 mmHg
Density:	1.255 g/cm³
MDL:	MFCD00010678
LogP:	2.09320

Publication Number	Title	Priority Date
JP-WO2020004421-A1	Prepreg and its manufacturing method, slit tape prepreg, carbon fiber reinforced composite material	20180626
AU-2018349279-A1	Preparation of psilocybin, different polymorphic forms, intermediates, formulations and their use	20171009
DE-202018006384-U1	Production of psilocybin, various polymorphic forms, intermediates, formulations and their use	20171009
GB-2571696-A	Preparation of Psilocybin, different polymorphic forms, intermediates, formulations and their use	20171009
GB-2572023-A	Preparation of psilocybin, different polymorphic forms, intermediates, formulations and their use	20171009

PMID	Publication Date	Title	Journal
18454322	20080601	Indolealkylamines: biotransformations and potential drug-drug interactions	The AAPS journal

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Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.06332853
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.06332853
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8