Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate | CAS No. 90407-15-1

Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate

Basic Information

CAS Number

90407-15-1

Molecular Formula

C11H9ClO2S

Molecular Weight

240.71 g/mol

AD

Basic Physical Properties

CCOC(=O)C1=CC2=C(S1)C(=CC=C2)Cl

InChI

InChI=1S/C11H9ClO2S/c1-2-14-11(13)9-6-7-4-3-5-8(12)10(7)15-9/h3-6H,2H2,1H3

InChIKey

SBWRJGPKZNEBGR-UHFFFAOYSA-N

LogP

3.7314000000000016

Topological Polar Surface Area

26.3 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

247

Synonyms & References

English

  • Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate
  • 7-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
  • Benzo[b]thiophene-2-carboxylicacid, 7-chloro-, ethyl ester
  • Ethyl 7-chloro-1-benzothiophene-2-carboxylate
  • Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate (ACI)
  • Ethyl7-chlorobenzo[b]thiophene-2-carboxylate
  • AA-516/33240003
  • 7-Chloro-benzo[b]thiophene-2-carboxylic acid
  • MFCD00834770
  • DB-325892
  • Benzo[b]thiophene-2-carboxylic acid, 7-chloro-, ethyl ester
  • AKOS022172767
  • 90407-15-1
  • DTXSID50356347
  • AS-8590
  • SCHEMBL18264007
  • ethyl 7-chloro-1-benzothiophene-2-carboxylate

MDL Number

MFCD00834770

FAQ

What are the physical and chemical properties of Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate (CAS: 90407-15-1)?

Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate (CAS: 90407-15-1) is a crystalline compound with a molecular weight of approximately 242.02 g/mol. It is slightly soluble in water but more soluble in organic solvents like methanol and acetonitrile. The compound shows moderate reactivity with basic compounds and is susceptible to hydrolysis under certain conditions. It is often used in pharmaceutical and chemical synthesis due to its unique chemical structure.

How is Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate (CAS: 90407-15-1) typically synthesized?

Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate (CAS: 90407-15-1) is typically synthesized via a multi-step process involving acylation of 7-chlorobenzo[b]thiophene-2-carboxylic acid with ethyl chloroformate. This reaction is often catalyzed by an acid, such as sulfuric acid, and proceeds with good yield. The final product is obtained through recrystallization from an appropriate solvent.

What industries use Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate (CAS: 90407-15-1)?

Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate (CAS: 90407-15-1) finds applications in the pharmaceutical and chemical industries. It serves as a key intermediate in the synthesis of various drug candidates, particularly those targeting specific enzymes or receptors. Additionally, it is utilized in the development of sensors and materials due to its unique chemical properties.

What precautions should be taken when handling Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate (CAS: 90407-15-1)?

When handling Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate (CAS: 90407-15-1), it is crucial to follow proper safety protocols. Always wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be thoroughly rinsed. Refer to the Safety Data Sheet (SDS) for detailed safety information.

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