2,7-Dihydroxy-9-fluorenone

CAS: 42523-29-5

Ref. 3D-FD70414

Informação sobre produto

• Nome: 2,7-Dihydroxy-9-fluorenone
• Marca: Biosynth
• Descrição: 2,7-Dihydroxy-9-fluorenone (2,7DF) is a quinone derivative that has been shown to exhibit immunomodulatory effects in vitro. This compound was synthesized by methylation of the hydroxy group at position 2 and esterification with 3-mercaptopropionic acid. The synthesis of 2,7DF was achieved in anhydrous conditions using potassium carbonate as a base and hydrochloric acid as a reagent. The molecule's structure has been elucidated using magnetic resonance spectroscopy. This technique showed the presence of a hydrogen bond between the hydroxyl group and the methyl esterified at position 7. This bond is also present in other molecules such as 3-mercaptopropionic acid and benzene. The synthesis of 2,7DF was also achieved through molecular modeling techniques that used quantum chemical calculations for the determination of its molecular geometry.

Propriedades químicas

• Peso molecular: 212.2 g/mol
• Fórmula: C₁₃H₈O₃
• Pureza: 95%Nmr
• Cor/forma: Powder
• InChI: InChI=1S/C13H8O3/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6,14-15H
• Chave InChI: InChIKey=CWHPQXRTQSNTRR-UHFFFAOYSA-N
• SMILES: O=C1c2cc(O)ccc2-c2ccc(O)cc21