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1-(3-chlorophenyl)-4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is a complex organic compound with the molecular formula C16H12ClN3. It features a pyrrolo[2,3-b]pyridine core, which is a fused ring system consisting of a pyrrole and a pyridine. The compound has a 3-chlorophenyl group attached to the pyrrolo[2,3-b]pyridine nucleus, which contributes to its chemical properties. Additionally, it has two methyl groups at the 4 and 6 positions, enhancing its steric hindrance. The carbonitrile group at the 3 position further influences its reactivity and potential applications. 1-(3-chlorophenyl)-4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is known for its potential use in the synthesis of pharmaceuticals and agrochemicals, particularly as a building block for the development of new molecules with biological activity.

59661-48-2

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59661-48-2 Usage

Chemical structure

A complex molecular structure consisting of a pyrrolopyridine core with a carbonitrile functional group attached to the third position, a 3-chlorophenyl group, and two methyl groups attached to the pyrrolopyridine core.

Functional groups

Carbonitrile (C≡N) and methyl (CH3) groups.

Core structure

Pyrrolopyridine, which is a fused ring system containing both pyrrole and pyridine moieties.

Substituents

A 3-chlorophenyl group and two methyl groups.

Potential applications

Pharmaceutical research and drug development due to its unique properties and biological activities.

Molecular weight

Approximately 314.77 g/mol

Appearance

The compound is likely to be a solid, but its exact appearance (e.g., color, crystal structure) is not provided in the material.

Solubility

The solubility of the compound is not provided in the material, but it may be influenced by the presence of the carbonitrile and chlorophenyl groups.

Stability

The stability of the compound is not provided in the material, but it may be affected by factors such as temperature, light exposure, and the presence of other reactive substances.

Reactivity

The compound may be reactive due to its complex structure, and it is important to handle it with care and follow safety protocols.

Synthesis

The synthesis method for 1-(3-chlorophenyl)-4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is not provided in the material, but it likely involves the formation of the pyrrolopyridine core and subsequent functionalization with the carbonitrile, chlorophenyl, and methyl groups.

Purity

The purity of the compound is not provided in the material, but it is an important factor to consider when evaluating its properties and potential applications.

Analytical techniques

Techniques such as nuclear magnetic resonance (NMR), mass spectrometry (MS), and infrared (IR) spectroscopy may be used to analyze and confirm the structure of the compound.

Check Digit Verification of cas no

The CAS Registry Mumber 59661-48-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,9,6,6 and 1 respectively; the second part has 2 digits, 4 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 59661-48:
(7*5)+(6*9)+(5*6)+(4*6)+(3*1)+(2*4)+(1*8)=162
162 % 10 = 2
So 59661-48-2 is a valid CAS Registry Number.

59661-48-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(3-chlorophenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine-3-carbonitrile

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:59661-48-2 SDS

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