1,5,6,7-Tetrahydro-4H-indol-4-one

ALDRICH/357839 - 98%

Synonym: 4,5,6,7-Tetrahydro-4-oxoindole; NSC 131681

CAS Number: 13754-86-4
Empirical Formula (Hill Notation): C₈H₉NO
Molecular Weight: 135.16
MDL Number: MFCD00075438
Linear Formula: C₈H₉NO
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-357839-5G	5 g	$42.90 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	98%
InChI	1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H2
InChI key	KASJZXHXXNEULX-UHFFFAOYSA-N
mp	188-190 °C (lit.)
SMILES string	O=C1CCCc2[nH]ccc12

Application:	• Reactant in synthesis of psammopemmin A as antitumor agent • Reactant in synthesis of a 1,3,4,5-tetrahydrobenzindole β-ketoesters and tricyclic tetrahydrobenzindoles via C-H insertion reactions • Reactant in preparation of tricyclic indole and dihydroindole derivatives as inhibitors of guanylate cyclase • Reactant in preparation of condensed pyrroloindoles via Pd-catalyzed intramolecular C-H bond functionalization of (halobenzyl)pyrroles • Reactant in enantioselective preparation of arylalkenyl indoles via asymmetric C-H insertion of rhodium carbenoids followed by Cope rearrangement-elimination
Application:	1,5,6,7-Tetrahydro-4H-indol-4-one may be used in the preparation of: • 4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carbonitrile • methyl 2-(4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)acrylate • 3-(4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)propanenitrile • potent and orally active 5-HT1A agonists, (R)-(+)- and (S)-(-)-1-formyl-6,7,8,9-tetrahydro-N,N-dipropyl-3H-benz[e]indol-8-amines
General description:	Iodination of 1,5,6,7-tetrahydro-4H-indol-4-one using 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) yields α-iodo derivative as the main product.
Packaging:	5 g in glass bottle

Symbol	GHS07
Signal word	Warning
Hazard statements	H315 - H319 - H335
Precautionary statements	P302 + P352 - P305 + P351 + P338
Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-37/39
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3

Purity	98%
mp	188-190 °C (lit.)
UNSPSC	12352100

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