1-ACETYLINDOLE

Synonym(s):NSC 521758

CAS NO.：576-15-8
Empirical Formula: C10H9NO
Molecular Weight: 159.18
MDL number: MFCD00038005
EINECS: 209-396-1
SAFETY DATA SHEET (SDS)
Update Date: 2023-05-25 18:01:00

What is 1-ACETYLINDOLE?

Chemical properties

clear yellow liquid after melting

The Uses of 1-ACETYLINDOLE

1-Acetylindole may be used in the stereocontrolled synthesis of (±)-geissoschizine. It may be used in the preparation of (1-acetyl-κO-indolyl-κC²)tetracarbonylmanganese, via a standard cyclomanganation procedure.

Definition

ChEBI: N-Acetylindole is a member of indoles.

Synthesis Reference(s)

Tetrahedron Letters, 29, p. 2151, 1988 DOI: 10.1016/S0040-4039(00)86696-4

General Description

Quantum chemical calculations of ground state energy, geometrical structure and vibrational wavenumbers of 1-acetylindole has been carried out using density functional (DFT/B3LYP) method. Regioselective acylations of 1-acetylindole (N-acetylindole) under Friedel-Crafts reaction has been reported. Reaction of 1-acetylindole with manganese(III) acetate in the presence of malonic acid, is reported to afford 4-acetyl-3,3a,4,8b-tetrahydro-2H-furo[3,2-b]indol-2-one.

Properties of 1-ACETYLINDOLE

Melting point:	189 °C
Boiling point:	123-125 °C/8 mmHg (lit.)
Density	1.387 g/mL at 25 °C (lit.)
refractive index	n20/D 1.607(lit.)
Flash point:	>230 °F
storage temp.	2-8°C
Odor	at 0.10?%?in?dipropylene glycol. floral
CAS DataBase Reference	576-15-8(CAS DataBase Reference)
EPA Substance Registry System	1H-Indole, 1-acetyl- (576-15-8)

Safety information for 1-ACETYLINDOLE

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.