CAS 1354485-82-7

1-(1,1-Dimethylethyl) (2S,4S)-4-[2-chloro-4-(1,1-dimethylpropyl)phenoxy]-1,2-pyrrolidinedicarboxylate

Description:

1-(1,1-Dimethylethyl) (2S,4S)-4-[2-chloro-4-(1,1-dimethylpropyl)phenoxy]-1,2-pyrrolidinedicarboxylate is a synthetic organic compound characterized by its complex structure, which includes a pyrrolidine ring and multiple functional groups. This compound features a chiral center, indicating that it exists in two enantiomeric forms, which can exhibit different biological activities. The presence of a chloro substituent and a phenoxy group suggests potential applications in agrochemicals or pharmaceuticals, particularly in herbicide or pesticide formulations. Its molecular structure may confer specific interactions with biological targets, influencing its efficacy and safety profile. The compound's solubility, stability, and reactivity are influenced by its functional groups and overall molecular geometry. As with many synthetic chemicals, understanding its environmental impact, degradation pathways, and toxicity is crucial for safe handling and application. Further studies would be necessary to elucidate its precise properties and potential uses in various fields, including agriculture and medicinal chemistry.

Formula: C₂₁H₃₀ClNO₅

InChI: InChI=1S/C21H30ClNO5/c1-7-21(5,6)13-8-9-17(15(22)10-13)27-14-11-16(18(24)25)23(12-14)19(26)28-20(2,3)4/h8-10,14,16H,7,11-12H2,1-6H3,(H,24,25)/t14-,16-/m0/s1

InChI key: InChIKey=GTPIAVOUBNDUMQ-HOCLYGCPSA-N

SMILES: C(OC(C)(C)C)(=O)N1[C@H](C(O)=O)C[C@H](OC2=C(Cl)C=C(C(CC)(C)C)C=C2)C1

Synonyms:

• 1-(1,1-Dimethylethyl) (2S,4S)-4-[2-chloro-4-(1,1-dimethylpropyl)phenoxy]-1,2-pyrrolidinedicarboxylate
• 1,2-Pyrrolidinedicarboxylic acid, 4-[2-chloro-4-(1,1-dimethylpropyl)phenoxy]-, 1-(1,1-dimethylethyl) ester, (2S,4S)-