5-(1-Piperazinyl)-2-Benzofurancarboxylic Acid Ethyl Ester Diydrochloride Hydrate | CAS No. 1422956-31-7

5-(1-Piperazinyl)-2-Benzofurancarboxylic Acid Ethyl Ester Diydrochloride Hydrate

Basic Information

CAS Number

1422956-31-7

Molecular Formula

C15H22Cl2N2O4

Molecular Weight

365.25 g/mol

AD

Basic Physical Properties

CCOC(=O)c1cc2c(o1)ccc(c2)N1CCNCC1.O.Cl.Cl

InChI

InChI=1S/C15H18N2O3.2ClH.H2O/c1-2-19-15(18)14-10-11-9-12(3-4-13(11)20-14)17-7-5-16-6-8-17;;;/h3-4,9-10,16H,2,5-8H2,1H3;2*1H;1H2

InChIKey

GOKCUPVWRIMFNJ-UHFFFAOYSA-N

LogP

2.038000000000001

Topological Polar Surface Area

86.21000000000001 Ų

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

344

Synonyms & References

English

  • 5-(1-piperazinyl)-2-Benzofurancarboxylic acid ethyl ester dihydrochloride
  • 5-(1-Piperazinyl)-2-benzofurancarboxylic acid ethyl ester dihydrochloride hydrate
  • 2-Benzofurancarboxylic acid, 5-(1-piperazinyl)-, ethyl ester, (Hydrochloride), hydrate (1:2:1)
  • BCP12349
  • ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate;hydrate;dihydrochloride
  • 2-Benzofurancarboxylic acid,5-(1-piperazinyl)-,ethyl ester,(Hydrochloride),hydrate (1:2:1)

MDL Number

MFCD25977202

FAQ

What are the physical and chemical properties of 5-(1-Piperazinyl)-2-Benzofurancarboxylic Acid Ethyl Ester Dihydrochloride Hydrate (CAS: 1422956-31-7)?

5-(1-Piperazinyl)-2-Benzofurancarboxylic Acid Ethyl Ester Dihydrochloride Hydrate is a crystalline compound with a molecular weight of approximately 415.3 g/mol. It has good solubility in water and organic solvents. The compound is moderately reactive, showing typical ester and amine functionalities. It is typically stable under normal conditions but may degrade upon prolonged exposure to strong acids or bases.

How is 5-(1-Piperazinyl)-2-Benzofurancarboxylic Acid Ethyl Ester Dihydrochloride Hydrate (CAS: 1422956-31-7) typically synthesized?

5-(1-Piperazinyl)-2-Benzofurancarboxylic Acid Ethyl Ester Dihydrochloride Hydrate is commonly synthesized via a multi-step process involving the esterification of 2-benzofurancarboxylic acid ethyl ester with piperazine, followed by hydrochloric acid treatment to form the dihydrochloride salt. The reaction is typically carried out in a solvent such as ethanol or dichloromethane, with catalysis by a strong acid like sulfuric acid to improve yield and selectivity.

What industries use 5-(1-Piperazinyl)-2-Benzofurancarboxylic Acid Ethyl Ester Dihydrochloride Hydrate (CAS: 1422956-31-7)?

5-(1-Piperazinyl)-2-Benzofurancarboxylic Acid Ethyl Ester Dihydrochloride Hydrate is used in various industries, including pharmaceuticals, where it serves as a starting material for drug synthesis. It is also utilized in the polymer industry for its potential in enhancing material properties and in sensor technology due to its chemical reactivity and solubility characteristics.

What precautions should be taken when handling 5-(1-Piperazinyl)-2-Benzofurancarboxylic Acid Ethyl Ester Dihydrochloride Hydrate (CAS: 1422956-31-7)?

When handling 5-(1-Piperazinyl)-2-Benzofurancarboxylic Acid Ethyl Ester Dihydrochloride Hydrate, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure to the compound. Proper spill handling procedures should be followed, and the Safety Data Sheet (SDS) should be consulted for detailed safety information. The compound should be stored in a cool, dry place, away from direct sunlight and heat sources.

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