2-Amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile

Name: 2-Amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile
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CAS No. 21392-51-8
Cat. No. CS-0153597
Purity≥95%
MDL No.MFCD00849263

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2-Amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile|CS-0153597

Structure of 21392-51-8

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General Information

CAS No. 21392-51-8
Cat. No. CS-0153597
Purity ≥95%
MDL No. MFCD00849263
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₉N₃
Molecular Weight 135.17
Synonym(s) 2-Amino-3-cyano-4,5-dimethylpyrrole
SMILES CC1=C(C)NC(=C1C#N)N

Description

This pyrrole derivative features a conjugated nitrile group and two methyl substituents at the 4,5-positions, enhancing electron density at the heterocyclic core. The amino functionality at C2 enables direct incorporation into synthetic scaffolds for bioactive molecule development under standard conditions.

Application

2-Amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile serves as a versatile heterocyclic building block for medicinal chemistry and materials science applications. Its electron-rich pyrrole core, combined with amino and nitrile functionalities, enables diverse transformations including electrophilic substitution, palladium-catalyzed coupling, and cyclization reactions. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis workflows and API intermediate development.

Synthesis

Route1
- 6628-81-5
- 109-77-3
- ~78%
- In-stock
  
  21392-51-8
References
- Bayomi; Al-Obaid; Jado; Loutfy Indian Journal of Chemistry - Section B Organic Chemistry Including Medicinal Chemistry, 1990 , vol. 29, # 1 p. 47 - 52

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 1759
Class : 8	Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 65.6
LogP 1.08542
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Key Words

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2-Amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile

CAS No. 21392-51-8

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