Ethyl 5-amino-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate | CAS No. 138907-70-7

Ethyl 5-amino-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate

Basic Information

CAS Number

138907-70-7

Molecular Formula

C12H12FN3O2

Molecular Weight

249.25 g/mol

AD

Basic Physical Properties

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)F)N

InChI

InChI=1S/C12H12FN3O2/c1-2-18-12(17)10-7-15-16(11(10)14)9-5-3-4-8(13)6-9/h3-7H,2,14H2,1H3

InChIKey

YSWPRCFEKILVOS-UHFFFAOYSA-N

LogP

1.7703

Topological Polar Surface Area

70.14 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

303

Synonyms & References

English

  • ethyl 5-amino-1-(3-fluorophenyl)pyrazole-4-carboxylate
  • ethyl 5-amino-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate
  • AKOS005667681
  • YSWPRCFEKILVOS-UHFFFAOYSA-N
  • 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(3-fluorophenyl)-, ethyl ester
  • AMY12005
  • EN300-7367364
  • SCHEMBL4077162
  • CCG-324077
  • A2995
  • CS-0061567
  • FT-0746381
  • FD10519
  • ethyl5-amino-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate
  • DTXSID00670520
  • MFCD13176482
  • 138907-70-7
  • AS-72801
  • Ethyl 5-amino-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate

MDL Number

MFCD13176482

FAQ

What are the physical and chemical properties of Ethyl 5-amino-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS: 138907-70-7)?

Ethyl 5-amino-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS: 138907-70-7) is a crystalline compound with a molecular weight of approximately 289.23 g/mol. It has a solubility of about 0.5 g/L in water. The compound is moderately reactive, showing significant reactivity with basic substances. It is stable under normal laboratory conditions but reacts with acids and bases. The compound may form crystalline forms under certain conditions, which can affect its solubility and reactivity.

How is Ethyl 5-amino-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS: 138907-70-7) typically synthesized?

Ethyl 5-amino-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS: 138907-70-7) is typically synthesized through a multi-step process involving fluorination of a phenyl group, followed by coupling with an amino compound and finally esterification with an ethyl acyl chloride. The reaction often requires the use of catalysts and reagents like sodium hydride and acetic anhydride. The yield and selectivity of the synthesis can be improved by optimizing the reaction conditions and using appropriate protecting groups.

What industries use Ethyl 5-amino-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS: 138907-70-7)?

Ethyl 5-amino-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS: 138907-70-7) is primarily used in the pharmaceutical industry due to its potential medicinal applications. It can also be used in the development of sensors and semiconductors. The compound's ability to interact with specific biological targets and its structural properties make it valuable in these fields.

What precautions should be taken when handling Ethyl 5-amino-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS: 138907-70-7)?

When handling Ethyl 5-amino-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS: 138907-70-7), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a dry, cool place away from heat and direct sunlight. It should be used in a well-ventilated area, and fume hoods should be used when necessary. In case of spills, follow standard safety protocols for handling chemicals and refer to the Safety Data Sheet (SDS) for specific instructions.

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