CymitQuimica logo

CAS 179324-87-9

:

4,6-Methano-1,3,2-benzodioxaborole-2-methanamine, hexahydro-3a,8,8-trimethyl-α-(2-methylpropyl)-, (αR,3aS,4S,6S,7aR)-, 2,2,2-trifluoroacetate (1:1)

Description:
4,6-Methano-1,3,2-benzodioxaborole-2-methanamine, hexahydro-3a,8,8-trimethyl-α-(2-methylpropyl)-, (αR,3aS,4S,6S,7aR)-, 2,2,2-trifluoroacetate (1:1) is a complex organic compound characterized by its unique structural features, including a benzodioxaborole framework and multiple stereocenters. This compound exhibits chirality, which is significant for its potential biological activity and interactions. The presence of a trifluoroacetate moiety suggests that it may have enhanced solubility and stability in various solvents. The hexahydro structure indicates saturation, which may influence its reactivity and interaction with biological targets. Additionally, the trimethyl and isopropyl substituents contribute to its steric bulk, potentially affecting its binding affinity in biological systems. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique structural properties and potential for specific interactions with biological molecules. However, detailed studies on its pharmacokinetics, toxicity, and biological activity would be necessary to fully understand its applications.
Formula:C15H28BNO2·C2HF3O2
InChI:InChI=1S/C15H28BNO2.C2HF3O2/c1-9(2)6-13(17)16-18-12-8-10-7-11(14(10,3)4)15(12,5)19-16;3-2(4,5)1(6)7/h9-13H,6-8,17H2,1-5H3;(H,6,7)/t10-,11-,12+,13-,15-;/m0./s1
InChI key:InChIKey=SRFQKJZNJYTMNI-CDVUYJLHSA-N
SMILES:C[C@]12[C@@]3(C(C)(C)[C@@](C3)(C[C@]1(OB([C@H](CC(C)C)N)O2)[H])[H])[H].C(C(O)=O)(F)(F)F
Synonyms:
  • (1R)-(1S,2S,3R,5S)-Pinanediol-1-ammoniumtrifluoroacetate-3-methyl butane-1-boronate
  • (1R)-(S)-Pinanediol 1-Ammonium trifluoroacetate-3-Methylbutane-1-BORONATE
  • (1R)-3-methyl-1-[(3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborol-2-yl]butan-1-amine trifluoroacetate (1:1)
  • (1R)-3-methyl-1-[(3aS,4S,6S,7aR)-3a,5,5-trimethythexahydro-4,6-methano-1,3,2-benzodioxa-borol-2-yl]butan-1-amine trifluoroacetate
  • (R)-3-Methyl-1-((3As,4S,6S,7Ar)-3A,5,5-Trimethylhexahydro-4,6-Methanobenzo[D][1,3,2]Dioxaborol-2-Yl)Butan-1-Amine 2,2,2-Trifluoroacetate
  • (R)-BoroLeu-(+)-Pinanediol-CF3 COOH
  • (R)-BoroLeu-(+)-Pinanediol-CF3CO2H
  • (R)-BoroLeu-(+)-Pinanediol-CF3COOH
  • (aR,3aS,4S,6S,7aR)-Hexahydro-3a,8,8-trimethyl-alpha-(2-methylpropyl)-
  • 2,5-diamino-4,6-dihydroxy pyrimidine Hydrochloride
  • See more synonyms
Sort by
Purity (%)
0
100
|
0
|
50
|
90
|
95
|
100
Found 8 products.