CAS 269726-49-0

5-Amino-1-tert-butyl-1H-pyrrole-3-carbonitrile

Description:

5-Amino-1-tert-butyl-1H-pyrrole-3-carbonitrile is an organic compound characterized by its pyrrole ring structure, which is a five-membered aromatic heterocycle containing nitrogen. The presence of an amino group (-NH2) and a tert-butyl group (a branched alkyl group) contributes to its unique chemical properties, including increased steric hindrance and potential for hydrogen bonding. The carbonitrile functional group (-C≡N) introduces a polar character, enhancing its reactivity and solubility in polar solvents. This compound may exhibit biological activity, making it of interest in medicinal chemistry and drug development. Its molecular structure allows for various synthetic modifications, which can lead to derivatives with altered properties. Additionally, the compound's stability and reactivity can be influenced by the electronic effects of the substituents on the pyrrole ring. Overall, 5-Amino-1-tert-butyl-1H-pyrrole-3-carbonitrile is a versatile building block in organic synthesis and may have applications in pharmaceuticals and agrochemicals.

Formula: C₉H₁₃N₃

InChI: InChI=1/C9H13N3/c1-9(2,3)12-6-7(5-10)4-8(12)11/h4,6H,11H2,1-3H3

SMILES: CC(C)(C)n1cc(cc1N)C#N

Synonyms:

• 1H-Pyrrole-3-carbonitrile, 5-amino-1-(1,1-dimethylethyl)-
• 5-Amino-1-(tert-butyl)-1H-pyrrole-3-carbonitrile

5-Amino-1-(tert-butyl)-1H-pyrrole-3-carbonitrile

CAS: 269726-49-0

Formula: C₉H₁₃N₃

Purity: 98%

Color and Shape: Solid

Molecular weight: 163.2196

Ref: IN-DA00BF1K

5-Amino-1-(tert-butyl)-1H-pyrrole-3-carbonitrile

CAS: 269726-49-0

5-Amino-1-(tert-butyl)-1H-pyrrole-3-carbonitrile

Formula: C₉H₁₃N₃

Purity: ≥95%

Color and Shape: Powder

Molecular weight: 163.22g/mol

Ref: 54-OR16462

5-Amino-1-(tert-butyl)-1H-pyrrole-3-carbonitrile

CAS: 269726-49-0

Formula: C₉H₁₃N₃

Purity: 98%

Color and Shape: Solid

Molecular weight: 163.224

Ref: 10-F047044

5-Amino-1-tert-butyl-1H-pyrrole-3-carbonitrile

CAS: 269726-49-0

5-Amino-1-tert-butyl-1H-pyrrole-3-carbonitrile is a chemical compound that belongs to the group of heterocycles. It can be found as a yellow or orange solid and has a melting point of approximately 160 °C. 5-Amino-1-tert-butyl-1H-pyrrole-3-carbonitrile can be synthesized by transformation of 7-(azaindolinyl)heptane. The transformation involves intramolecular cyclization, which is an efficient method for the synthesis of these heterocycles. The intramolecular cyclization proceeds through an imine intermediate and yields a 3,7,8,9,10 tetrahydrocyclic product with an efficiency up to 100%.

Formula: C₉H₁₃N₃

Purity: Min. 95%

Molecular weight: 163.22 g/mol

Ref: 3D-UKA72649