CymitQuimica logo

CAS 1219086-88-0

:

rel-(3S,4R,5S)-3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-<span class="text-smallcaps">D</span>-proline 1,1-dimethylethyl ester

Description:
The chemical substance known as rel-(3S,4R,5S)-3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-D-proline 1,1-dimethylethyl ester, with CAS number 1219086-88-0, is a synthetic compound characterized by its complex structure featuring multiple functional groups. It contains a proline backbone, which is an amino acid known for its role in protein structure and function. The presence of chloro and fluoro substituents on the phenyl rings indicates potential biological activity, as halogenated compounds often exhibit enhanced lipophilicity and can interact with biological targets. The cyano group contributes to the compound's reactivity and may influence its pharmacological properties. Additionally, the tert-butyl ester moiety suggests that the compound may be designed for stability and solubility in organic solvents. Overall, this compound's unique stereochemistry and functional groups suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. However, specific biological activities and safety profiles would require further investigation through empirical studies.
Formula:C27H30Cl2F2N2O2
InChI:InChI=1/C27H30Cl2F2N2O2/c1-25(2,3)13-20-27(14-32,17-11-10-15(28)12-19(17)30)21(16-8-7-9-18(29)22(16)31)23(33-20)24(34)35-26(4,5)6/h7-12,20-21,23,33H,13H2,1-6H3/t20-,21-,23+,27-/s2
InChI key:InChIKey=GVUURVYUUHABAS-FLLKRXKUNA-N
SMILES:C(#N)[C@]1([C@H]([C@H](C(OC(C)(C)C)=O)N[C@H]1CC(C)(C)C)C2=C(F)C(Cl)=CC=C2)C3=C(F)C=C(Cl)C=C3
Synonyms:
  • rel-(2R,3S,4R,5S)-3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid tert-butyl ester
  • rel-(3S,4R,5S)-3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-D-proline 1,1-dimethylethyl ester
  • D-Proline, 3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-, 1,1-dimethylethyl ester, (3S,4R,5S)-rel-
  • (2R,3S,4R,5S)-tert-butyl 3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-neopentylpyrrolidine-2-carboxylate
Sort by
Purity (%)
0
100
|
0
|
50
|
90
|
95
|
100
Found 3 products.