Ethyl 4-amino-6-chloro-5-iodonicotinate

Basic Information

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CAS Number

1935952-84-3

Molecular Formula

C8H8ClIN2O2

Molecular Weight

326.52 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)c1cnc(c(c1N)I)Cl

InChI

InChI=1S/C8H8ClIN2O2/c1-2-14-8(13)4-3-12-7(9)5(10)6(4)11/h3H,2H2,1H3,(H2,11,12)

InChIKey

LEKLWRRXLQTERQ-UHFFFAOYSA-N

LogP

2.0985

Topological Polar Surface Area

65.21 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

218

Synonyms & References

English

ethyl 4-amino-6-chloro-5-iodonicotinate
AK684414
4-Amino-6-chloro-5-iodo-nicotinic acid ethyl ester

MDL Number

MFCD28559209

FAQ

What are the physical and chemical properties of Ethyl 4-amino-6-chloro-5-iodonicotinate (CAS: 1935952-84-3)?

Ethyl 4-amino-6-chloro-5-iodonicotinate is a crystalline compound with a molecular weight of approximately 422.85 g/mol. It is poorly soluble in water but soluble in common organic solvents like methanol and ethanol. This compound is known for its reactivity towards nucleophilic substitution reactions due to the presence of the amino and halide groups.

How is Ethyl 4-amino-6-chloro-5-iodonicotinate (CAS: 1935952-84-3) typically synthesized?

Ethyl 4-amino-6-chloro-5-iodonicotinate is synthesized through a multi-step process involving condensation reactions and halogenation. It typically requires the use of catalysts such as N,N'-carbonyldiimidazole (CDI) for the amidation step and iodine for the halogenation step. The overall reaction involves the introduction of an amino group and subsequent halogenation, leading to the desired compound.

What industries use Ethyl 4-amino-6-chloro-5-iodonicotinate (CAS: 1935952-84-3)?

Ethyl 4-amino-6-chloro-5-iodonicotinate is primarily used in the pharmaceutical industry for the synthesis of certain drugs due to its unique functional groups. It may also have applications in research and development, particularly in studies related to organic synthesis and medicinal chemistry.

What precautions should be taken when handling Ethyl 4-amino-6-chloro-5-iodonicotinate (CAS: 1935952-84-3)?

When handling Ethyl 4-amino-6-chloro-5-iodonicotinate, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to vapors. Spills should be cleaned up carefully following standard laboratory procedures, and the material safety data sheet (MSDS) should be consulted for specific guidance.