N-(5-Amino-2-pyridinyl)-4-(trifluoromethyl)benzamide

Basic Information

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CAS Number

1011244-68-0

Molecular Formula

C13H10F3N3O

Molecular Weight

281.24 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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Nc1ccc(nc1)NC(=O)c1ccc(cc1)C(F)(F)F

InChI

InChI=1S/C13H10F3N3O/c14-13(15,16)9-3-1-8(2-4-9)12(20)19-11-6-5-10(17)7-18-11/h1-7H,17H2,(H,18,19,20)

InChIKey

BTCFFMPDIBWZLF-UHFFFAOYSA-N

LogP

2.9349000000000007

Topological Polar Surface Area

68.00999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

340

Synonyms & References

English

TFAP
N-(5-aminopyridin-2-yl)-4-(trifluoromethyl)benzamide
BDBM50376381
COX-1 Inhibitor IV pound TFAP pound(c)
AK00783815

MDL Number

MFCD12463359

FAQ

What are the physical and chemical properties of N-(5-Amino-2-pyridinyl)-4-(trifluoromethyl)benzamide (CAS: 1011244-68-0)?

N-(5-Amino-2-pyridinyl)-4-(trifluoromethyl)benzamide is a white or off-white crystalline solid. Its molecular weight is approximately 356.2 g/mol. It is slightly soluble in water and more soluble in organic solvents like methanol and acetonitrile. Chemically, it is relatively stable but can undergo hydrolysis under basic conditions. It is also sensitive to light and should be stored in a cool, dark place.

How is N-(5-Amino-2-pyridinyl)-4-(trifluoromethyl)benzamide (CAS: 1011244-68-0) typically synthesized?

N-(5-Amino-2-pyridinyl)-4-(trifluoromethyl)benzamide can be synthesized by reacting 4-(trifluoromethyl)benzoic acid with 5-aminopyridine in the presence of a coupling agent like HATU (O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate) and a base such as DIPEA (N,N-Diisopropylethylamine). The reaction typically proceeds in an organic solvent like N,N-Dimethylformamide (DMF) at room temperature. The product has a yield of around 70-80%.

What industries use N-(5-Amino-2-pyridinyl)-4-(trifluoromethyl)benzamide (CAS: 1011244-68-0)?

N-(5-Amino-2-pyridinyl)-4-(trifluoromethyl)benzamide is primarily used in the pharmaceutical industry as an intermediate for drug synthesis. It is also utilized in the polymer and sensor industries due to its unique chemical properties, such as its ability to form stable complexes and its high reactivity with certain functional groups.

What precautions should be taken when handling N-(5-Amino-2-pyridinyl)-4-(trifluoromethyl)benzamide (CAS: 1011244-68-0)?

When handling N-(5-Amino-2-pyridinyl)-4-(trifluoromethyl)benzamide, it is important to use appropriate personal protective equipment (PPE), such as gloves, goggles, and a lab coat. The compound should be stored in a cool, well-ventilated area away from light and heat. If a spill occurs, it should be handled using appropriate spill cleanup procedures. Always consult the Safety Data Sheet (SDS) for detailed handling and storage instructions.