3-Aminoisoquinoline-5-carboxylic acid | CAS No. 1337880-90-6

3-Aminoisoquinoline-5-carboxylic acid

Basic Information

CAS Number

1337880-90-6

Molecular Formula

C10H8N2O2

Molecular Weight

188.18 g/mol

AD

Basic Physical Properties

C1=CC2=CN=C(C=C2C(=C1)C(=O)O)N

InChI

InChI=1S/C10H8N2O2/c11-9-4-8-6(5-12-9)2-1-3-7(8)10(13)14/h1-5H,(H2,11,12)(H,13,14)

InChIKey

AUAMNEYGHNXNTN-UHFFFAOYSA-N

LogP

1.5151999999999999

Topological Polar Surface Area

76.21 Ų

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

232

Synonyms & References

English

  • 3-aminoisoquinoline-5-carboxylic Acid
  • 3-aminoisoquinoline-5-carboxylic acid
  • WS-01221
  • 3-AMINOISOQUINOLINE-5-CARBOXYLIC ACID
  • 1337880-90-6
  • MFCD22380191
  • 3-AMINOISOQUINOLINE-5-CARBOXYLICACID
  • AMY26065
  • 3-imino-2,3-dihydroisoquinoline-5-carboxylic acid
  • DTXSID20857235

MDL Number

MFCD22380191

FAQ

What are the physical and chemical properties of 3-Aminoisoquinoline-5-carboxylic acid (CAS: 1337880-90-6)?

3-Aminoisoquinoline-5-carboxylic acid (CAS: 1337880-90-6) is a crystalline solid with a molecular weight of approximately 224.24 g/mol. It has a pKa of around 7.4 and is slightly soluble in water. The compound is moderately reactive, especially with bases, and can form stable salts with various cations. It is also susceptible to hydrolysis under certain conditions.

How is 3-Aminoisoquinoline-5-carboxylic acid (CAS: 1337880-90-6) typically synthesized?

3-Aminoisoquinoline-5-carboxylic acid can be synthesized via a multi-step process starting from the corresponding carboxylic acid or through condensation reactions of appropriate precursors. Common catalysts include palladium(II) acetate in the presence of a base. The synthesis typically involves protecting groups and careful control of reaction conditions to achieve good yield and selectivity.

What industries use 3-Aminoisoquinoline-5-carboxylic acid (CAS: 1337880-90-6)?

3-Aminoisoquinoline-5-carboxylic acid is primarily used in the pharmaceutical industry for medicinal chemistry purposes, particularly as a building block in the synthesis of complex molecules. It is also used in the field of chemical sensors for its ability to form coordination complexes with metal ions. Additionally, it can be found in research applications related to polymer chemistry and material science.

What precautions should be taken when handling 3-Aminoisoquinoline-5-carboxylic acid (CAS: 1337880-90-6)?

When handling 3-Aminoisoquinoline-5-carboxylic acid (CAS: 1337880-90-6), it is crucial to use appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials and followed by thorough rinsing of the area. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.

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