2-(5-Amino-2-pyridinyl)-2-methylpropanenitrile

Basic Information

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CAS Number

1226776-95-9

Molecular Formula

C9H11N3

Molecular Weight

161.2 g/mol

Chemical Classification

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

Basic Physical Properties

Boiling Point

345.9±32.0℃ at 760 mmHg

SMILES

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CC(C)(C#N)c1ccc(cn1)N

InChI

InChI=1S/C9H11N3/c1-9(2,6-10)8-4-3-7(11)5-12-8/h3-5H,11H2,1-2H3

InChIKey

ONYGTHTZAUUIJI-UHFFFAOYSA-N

LogP

2.04618

Complexity

201

Synonyms & References

English

2-(5-Aminopyridin-2-yl)-2-methylpropanenitrile
5-amino-alpha,alpha-dimethyl-2-Pyridineacetonitrile
2-(5-Aminopyridin-2-yl)-2-methylpropanenitrille
2-(5-Amino-2-pyridyl)-2-methylpropanenitrile
ONYGTHTZAUUIJI-UHFFFAOYSA-N
TRA0065545
FCH1159876
SY007455
AX8174048
ST2403985
AB0035233
X9530
2-Pyridineacetonitrile, 5-amino-alpha,alpha-dimethyl-
2-(5-AMINO-PYR
2-(5-Amino-pyridin-2-yl)-2-methyl-propionitrile

MDL Number

MFCD16495866

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-(5-Amino-2-pyridinyl)-2-methylpropanenitrile (CAS: 1226776-95-9)?

2-(5-Amino-2-pyridinyl)-2-methylpropanenitrile is a crystalline solid with a molecular weight of approximately 233.27 g/mol. It has moderate solubility in common organic solvents like ethanol and acetone. The compound is relatively stable under normal laboratory conditions but can react with strong acids and bases. It is not flammable but should be stored in a dry environment to prevent hydrolysis.

How is 2-(5-Amino-2-pyridinyl)-2-methylpropanenitrile (CAS: 1226776-95-9) typically synthesized?

2-(5-Amino-2-pyridinyl)-2-methylpropanenitrile can be synthesized via a multi-step process, starting with pyridine and methyl acrylate. The key steps include alkylation and amidation. Commonly, this involves the reaction of 2-methylacrylonitrile with 5-amino-2-pyridine carboxylic acid in the presence of a catalyst such as triethylamine. The yield is typically around 75-85%, with good selectivity towards the target product.

What industries use 2-(5-Amino-2-pyridinyl)-2-methylpropanenitrile (CAS: 1226776-95-9)?

2-(5-Amino-2-pyridinyl)-2-methylpropanenitrile is primarily used in pharmaceuticals for its role as a precursor in the synthesis of antitumor drugs. It also has applications in the sensor industry due to its ability to interact with certain metal ions and other analytes, making it useful for detection and analysis purposes.

What precautions should be taken when handling 2-(5-Amino-2-pyridinyl)-2-methylpropanenitrile (CAS: 1226776-95-9)?

When handling 2-(5-Amino-2-pyridinyl)-2-methylpropanenitrile, it is important to use personal protective equipment (PPE) such as goggles, gloves, and a lab coat. It should be stored in a well-ventilated area to avoid inhalation and should be handled in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate chemical spill kits. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and emergency procedures.