Methyl 5-cyano-1-benzofuran-2-carboxylate | CAS No. 84102-77-2

Methyl 5-cyano-1-benzofuran-2-carboxylate

Basic Information

CAS Number

84102-77-2

Molecular Formula

C11H7NO3

Molecular Weight

190.2 g/mol

AD

Basic Physical Properties

COC(=O)C1=CC2=C(O1)C=CC(=C2)C#N

InChI

InChI=1S/C11H7NO3/c1-14-11(13)10-5-8-4-7(6-12)2-3-9(8)15-10/h2-5H,1H3

InChIKey

JHRYAFRCGFDTSK-UHFFFAOYSA-N

LogP

2.527820000000001

Topological Polar Surface Area

39.44 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

306

Synonyms & References

English

  • Methyl 5-cyanobenzofuran-2-carboxylate
  • METHYL 5-CYANO-1-BENZOFURAN-2-CARBOXYLATE
  • FT-0734660
  • 84102-77-2
  • AKOS002666486
  • SCHEMBL9231951
  • AC-27187
  • Methyl5-cyanobenzofuran-2-carboxylate
  • A904324
  • DTXSID10442073
  • Methyl 5-cyano-1-benzofuran-2-carboxylate

MDL Number

MFCD08753860

FAQ

What are the physical and chemical properties of Methyl 5-cyano-1-benzofuran-2-carboxylate (CAS: 84102-77-2)?

Methyl 5-cyano-1-benzofuran-2-carboxylate (CAS: 84102-77-2) has a crystalline form with a molecular weight of approximately 222.17 g/mol. It is slightly soluble in common organic solvents such as methanol and chloroform. The compound is reactive towards nucleophiles and can undergo various transformations in organic reactions. It is also sensitive to moisture and air, requiring storage under inert conditions.

How is Methyl 5-cyano-1-benzofuran-2-carboxylate (CAS: 84102-77-2) typically synthesized?

Methyl 5-cyano-1-benzofuran-2-carboxylate (CAS: 84102-77-2) is synthesized via the condensation of 2-benzofuranone and cyanoacetic acid methyl ester using an appropriate coupling agent. The synthesis involves the use of a base and can be optimized for better yield and selectivity. The reaction typically proceeds under mild conditions, and the product is isolated by recrystallization.

What industries use Methyl 5-cyano-1-benzofuran-2-carboxylate (CAS: 84102-77-2)?

Methyl 5-cyano-1-benzofuran-2-carboxylate (CAS: 84102-77-2) is used in the pharmaceutical industry for the synthesis of certain intermediates and drug candidates. It also finds applications in the polymer industry for the modification of polymer properties and in the electronic industry for the production of semiconductors and sensors.

What precautions should be taken when handling Methyl 5-cyano-1-benzofuran-2-carboxylate (CAS: 84102-77-2)?

When handling Methyl 5-cyano-1-benzofuran-2-carboxylate (CAS: 84102-77-2), it is important to use appropriate personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a cool, dry place away from moisture and strong oxidizing agents. In case of a spill, it should be cleaned up using appropriate procedures and materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.

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