1-Acetyl-5-(2-aminopropyl)-1H-indole-7-carbonitrile

Basic Information

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CAS Number

175837-01-1

Molecular Formula

C14H15N3O

Molecular Weight

243.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

498.585 °C at 760 mmHg

Flash Point

255.335 °C

SMILES

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CC(CC1=CC2=C(C(=C1)C#N)N(CC2)C(=O)C)N

InChI

InChI=1S/C14H15N3O/c1-9(16)5-11-6-12-3-4-17(10(2)18)14(12)13(7-11)8-15/h3-4,6-7,9H,5,16H2,1-2H3

InChIKey

DNFHMDAQSKREOD-UHFFFAOYSA-N

LogP

2.12228

Complexity

373

Synonyms & References

English

DTXSID90602330
AKOS015909615
1-Acetyl-5-(2-aminopropyl)-7-indolinecarbonitrile
1-ACETYL-5-(2-AMINOPROPYL)-2,3-DIHYDRO-1H-INDOLE-7-CARBONITRILE
1-ACETYL-5-(2-AMINOPROPYL)-2,3-DIHYDROINDOLE-7-CARBONITRILE
F16027
1-Acetyl-5-(2-aminopropyl)indoline-7-carbonitrile
AM20090778
SCHEMBL2354224
175837-01-1
1-acetyl-5-(2-aminopropyl)-2,3-dihydroindole-7-carbonitrile;
1H-Indole-7-carbonitrile, 1-acetyl-5-(2-aminopropyl)-2,3-dihydro-
AC-23952
MCRFLQWSKTXBBS-UHFFFAOYSA-N
A881553
Q-102539
FT-0697833
1-Acetyl-5-(2-aminopropyl)-2,3-dihydro-1H-indole-7-carbonitrile
3,5-Bis(trifluoromethyl)benzenesulfonylguanidine
interMediate of Silodosin

MDL Number

MFCD16038620

FAQ

What are the physical and chemical properties of 1-Acetyl-5-(2-aminopropyl)-1H-indole-7-carbonitrile (CAS: 175837-01-1)?

1-Acetyl-5-(2-aminopropyl)-1H-indole-7-carbonitrile is a solid compound with a crystalline form. Its molecular weight is approximately 304.26 g/mol. It has limited water solubility, with a solubility of about 0.2 g/L at 25°C. This compound is moderately reactive due to its functional groups, particularly the nitrile group, which can undergo hydrolysis under basic conditions. It is stable under normal laboratory conditions but should be stored away from moisture and strong acids.

How is 1-Acetyl-5-(2-aminopropyl)-1H-indole-7-carbonitrile (CAS: 175837-01-1) typically synthesized?

1-Acetyl-5-(2-aminopropyl)-1H-indole-7-carbonitrile is synthesized through a multi-step process involving the reaction of indole with acetyl chloride followed by coupling with an amino propyl derivative. This synthesis typically requires anhydrous conditions and is catalyzed by a suitable reagent. The overall yield is moderate, around 50-70%, with high selectivity towards the desired product due to the specific reactivity of the indole ring.

What industries use 1-Acetyl-5-(2-aminopropyl)-1H-indole-7-carbonitrile (CAS: 175837-01-1)?

1-Acetyl-5-(2-aminopropyl)-1H-indole-7-carbonitrile is primarily used in the pharmaceutical industry for the development of new drugs. It also shows potential in the polymer industry as a monomer or additive. Additionally, this compound can be used in the sensor and semiconductor industries due to its unique chemical properties, though its specific applications in these fields are still being explored.

What precautions should be taken when handling 1-Acetyl-5-(2-aminopropyl)-1H-indole-7-carbonitrile (CAS: 175837-01-1)?

When handling 1-Acetyl-5-(2-aminopropyl)-1H-indole-7-carbonitrile, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the work is conducted in a well-ventilated area, preferably a fume hood, to minimize exposure to the compound. Spills should be cleaned up immediately using appropriate spill kits, and the area should be thoroughly rinsed. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.