ethyl 2-(5-fluoro-1H-indazol-3-yl)acetate | CAS No. 885271-93-2

ethyl 2-(5-fluoro-1H-indazol-3-yl)acetate

Basic Information

CAS Number

885271-93-2

Molecular Formula

C11H11FN2O2

Molecular Weight

222.22 g/mol

AD

Basic Physical Properties

CCOC(=O)CC1=C2C=C(C=CC2=NN1)F

InChI

InChI=1S/C11H11FN2O2/c1-2-16-11(15)6-10-8-5-7(12)3-4-9(8)13-14-10/h3-5H,2,6H2,1H3,(H,13,14)

InChIKey

RLQKHYIJSNFESC-UHFFFAOYSA-N

LogP

1.8075999999999999

Topological Polar Surface Area

54.98 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

262

Synonyms & References

English

  • ethyl 2-(5-fluoro-1H-indazol-3-yl)acetate
  • (5-FLUORO-1H-INDAZOL-3-YL)-ACETIC ACID ETHYL ESTER
  • ethyl (5-fluoro-1H-indazol-3-yl)acetate
  • ethyl 2-(5-fluoro-2H-indazol-3-yl)acetate
  • 1h-indazole-3-acetic acid,5-fluoro-,ethyl ester
  • (5-Fluoro-1H-indazol-3-yl)acetic acid ethyl ester
  • 4318AH
  • AB28662
  • BB 0255242
  • J1197
  • D71960
  • Ethyl 5-fluoro-1H-indazole-3-acetate (ACI)
  • (5-Fluoro-1H-indazol-3-yl)-acetic acid ethyl ester
  • CS-16724
  • AKOS015957376
  • ethyl2-(5-fluoro-1H-indazol-3-yl)acetate
  • 885271-93-2
  • DTXSID001289500
  • RLQKHYIJSNFESC-UHFFFAOYSA-N
  • SCHEMBL14979247
  • EN300-234988
  • F2184-0209
  • 5-fluoro-1H-Indazole-3-acetic acid,ethyl ester
  • Ethyl 5-fluoro-1H-indazole-3-acetate
  • MFCD06739128
  • CS-0102743

MDL Number

MFCD06739128

FAQ

What are the physical and chemical properties of ethyl 2-(5-fluoro-1H-indazol-3-yl)acetate (CAS: 885271-93-2)?

Ethyl 2-(5-fluoro-1H-indazol-3-yl)acetate (CAS: 885271-93-2) is a crystalline solid with a molecular weight of approximately 241.24 g/mol. It is slightly soluble in water and more soluble in common organic solvents like ethanol and dichloromethane. The compound shows moderate reactivity due to its functional groups, particularly the acetate ester and the indazole ring. It can undergo hydrolysis and nucleophilic substitution reactions under appropriate conditions.

How is ethyl 2-(5-fluoro-1H-indazol-3-yl)acetate (CAS: 885271-93-2) typically synthesized?

Ethyl 2-(5-fluoro-1H-indazol-3-yl)acetate (CAS: 885271-93-2) is typically synthesized via a multistep process involving the condensation of 5-fluoro-1H-indazole with acetyl chloride followed by an esterification reaction with ethanol. Commonly used catalysts include acid catalysts like hydrochloric acid. The synthetic route provides high selectivity and good yield of the desired product.

What industries use ethyl 2-(5-fluoro-1H-indazol-3-yl)acetate (CAS: 885271-93-2)?

Ethyl 2-(5-fluoro-1H-indazol-3-yl)acetate (CAS: 885271-93-2) is primarily used in the pharmaceutical industry for the development of various drug candidates. It also finds applications in the synthesis of organic semiconductors for solar cells and sensors, contributing to the advancements in optoelectronics and sensor technology.

What precautions should be taken when handling ethyl 2-(5-fluoro-1H-indazol-3-yl)acetate (CAS: 885271-93-2)?

When handling ethyl 2-(5-fluoro-1H-indazol-3-yl)acetate (CAS: 885271-93-2), appropriate personal protective equipment (PPE) should be worn, including gloves, safety glasses, and a lab coat. Storage should be in a cool, well-ventilated area away from direct sunlight. Fume hoods should be used during handling to minimize exposure. In case of a spill, clean up using appropriate absorbent materials and follow standard laboratory safety procedures. For detailed information, refer to the Safety Data Sheet (SDS).

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