Ethyl 1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate | CAS No. 503614-56-0

Ethyl 1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate

Basic Information

CAS Number

503614-56-0

Molecular Formula

C16H17N3O4

Molecular Weight

315.33 g/mol

AD

Basic Physical Properties

Boiling Point

588.554°C at 760 mmHg

Density

1.36

Flash Point

309.747 °C

CCOC(=O)C1=NN(C2=C1CCNC2=O)C1=CC=C(OC)C=C1

InChI

InChI=1S/C16H17N3O4/c1-3-23-16(21)13-12-8-9-17-15(20)14(12)19(18-13)10-4-6-11(22-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,17,20)

InChIKey

PSOYDCQSXGQZKM-UHFFFAOYSA-N

LogP

1.3435

Topological Polar Surface Area

82.45 Ų

Hydrogen Bond Donor/Acceptor

1 / 7

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • Ethyl 1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
  • 1-(4-Methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester
  • apixabanIntermediate
  • ethyl 1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-pyrazolo[3,4-c]pyridine-3-carboxylate
  • 1-(4-methoxyphenyl)-3-(ethoxycarbonyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one
  • 1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic
  • AK105160
  • ANW-70725
  • CTK8C3865
  • KB-251866
  • SureCN1996713
  • Y6612

MDL Number

MFCD21340322

FAQ

What are the physical and chemical properties of Ethyl 1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate (CAS: 503614-56-0)?

Ethyl 1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate is a crystalline compound with a molecular weight of approximately 366.41 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetonitrile. The compound is known for its chemical stability and high reactivity towards nucleophiles. It can be used in various chemical transformations such as esterification and nucleophilic substitution.

How is Ethyl 1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate (CAS: 503614-56-0) typically synthesized?

Ethyl 1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate is typically synthesized through multistep organic reactions including the condensation of an appropriate pyrazole derivative with an aryl diazonium salt followed by subsequent alkylation. This process requires careful control of reaction conditions to ensure high selectivity and yield. The synthesis often involves the use of strong bases and catalysts to promote the desired reactions.

What industries use Ethyl 1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate (CAS: 503614-56-0)?

Ethyl 1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate is used in the pharmaceutical industry for the development of potential drug candidates. It also has applications in the polymer industry as a monomer for the synthesis of novel polymers with specific properties. Additionally, it can be used in the sensor industry for the development of chemical sensors and in the semiconductor industry as a precursor for organic semiconductors.

What precautions should be taken when handling Ethyl 1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate (CAS: 503614-56-0)?

When handling Ethyl 1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate (CAS: 503614-56-0), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up according to the manufacturer's guidelines, and the material safety data sheet (MSDS) should be consulted for proper disposal procedures. Storage should be in a cool, dry place away from direct sunlight and heat sources.

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