Ethyl 2-amino-5-chloronicotinate

Basic Information

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CAS Number

169495-51-6

Molecular Formula

C8H9ClN2O2

Molecular Weight

200.63 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CCOC(=O)c1cc(Cl)cnc1N

InChI

InChI=1S/C8H9ClN2O2/c1-2-13-8(12)6-3-5(9)4-11-7(6)10/h3-4H,2H2,1H3,(H2,10,11)

InChIKey

QFAFZWZBZJZCKN-UHFFFAOYSA-N

LogP

1.4938999999999998

Topological Polar Surface Area

65.21 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

189

Synonyms & References

English

Ethyl 2-amino-5-chloronicotinate
ethyl 2-amino-5-chloropyridine-3-carboxylate
ethyl2-aMino-5-chloronicotite
2-Amino-5-chloro-3-pyridinecarboxylic acid ethyl ester
ethyl2-aMino-5-chloronicotinate
QFAFZWZBZJZCKN-UHFFFAOYSA-N
BCP11492
2-Amino-5-chloro-nicotinic acid ethyl ester
W3692
ST24024841

MDL Number

MFCD17392800

Customs Code

2933399090

FAQ

What are the physical and chemical properties of Ethyl 2-amino-5-chloronicotinate (CAS: 169495-51-6)?

Ethyl 2-amino-5-chloronicotinate (CAS: 169495-51-6) is a crystalline compound with a molecular weight of approximately 251.68 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. The compound is relatively stable under normal conditions but reacts with strong bases to form the corresponding salt. It's often used in the synthesis of pharmaceuticals and other chemical intermediates.

How is Ethyl 2-amino-5-chloronicotinate (CAS: 169495-51-6) typically synthesized?

Ethyl 2-amino-5-chloronicotinate (CAS: 169495-51-6) is typically synthesized by the reaction of nicotinic acid with ethylamine in the presence of a catalyst such as anhydrous aluminum chloride. The reaction yields a mixture that is purified by recrystallization. The process involves the introduction of an amino group and a chlorine atom to the nicotinic acid structure.

What industries use Ethyl 2-amino-5-chloronicotinate (CAS: 169495-51-6)?

Ethyl 2-amino-5-chloronicotinate (CAS: 169495-51-6) is primarily used in the pharmaceutical industry as a precursor for the synthesis of other compounds. It also finds application in the production of certain polymers, sensors, and as a chemical intermediate in the semiconductor industry.

What precautions should be taken when handling Ethyl 2-amino-5-chloronicotinate (CAS: 169495-51-6)?

When handling Ethyl 2-amino-5-chloronicotinate (CAS: 169495-51-6), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a well-ventilated area or fume hood. Spills should be carefully managed using appropriate absorbent materials and the area should be cleaned thoroughly. Always refer to the Safety Data Sheet (SDS) for detailed information on handling, storage, and emergency procedures.