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CAS 1260644-27-6

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2-(1,1-Dimethylethyl) 6-fluoro-3,4-dihydro-1,2(1H)-isoquinolinedicarboxylate

Description:
2-(1,1-Dimethylethyl) 6-fluoro-3,4-dihydro-1,2(1H)-isoquinolinedicarboxylate, identified by its CAS number 1260644-27-6, is a synthetic organic compound characterized by its isoquinoline structure, which features a bicyclic aromatic system. This compound contains a fluoro substituent at the 6-position and two carboxylate ester groups, contributing to its potential reactivity and solubility properties. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, which may influence its biological activity and pharmacokinetics. The dihydroisoquinoline framework suggests that it may exhibit interesting pharmacological properties, potentially acting as a scaffold for drug development. Its specific characteristics, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the presence of functional groups. Overall, this compound's unique structural features make it a subject of interest in medicinal chemistry and related fields.
Formula:C15H18FNO4
InChI:InChI=1S/C15H18FNO4/c1-15(2,3)21-14(20)17-7-6-9-8-10(16)4-5-11(9)12(17)13(18)19/h4-5,8,12H,6-7H2,1-3H3,(H,18,19)
InChI key:InChIKey=VWNPAQSTAAGPBH-UHFFFAOYSA-N
SMILES:C(O)(=O)C1C=2C(CCN1C(OC(C)(C)C)=O)=CC(F)=CC2
Synonyms:
  • 1,2(1H)-Isoquinolinedicarboxylic acid, 6-fluoro-3,4-dihydro-, 2-(1,1-dimethylethyl) ester
  • 2-(tert-Butoxycarbonyl)-6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylicacid
  • 2-(tert-Butoxycarbonyl)-6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
  • 2-(1,1-Dimethylethyl) 6-fluoro-3,4-dihydro-1,2(1H)-isoquinolinedicarboxylate
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