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CAS 1286208-16-9

:

1,1-Dimethylethyl N-[(3S)-1-[(3-chlorophenyl)methyl]-3-pyrrolidinyl]carbamate

Description:
1,1-Dimethylethyl N-[(3S)-1-[(3-chlorophenyl)methyl]-3-pyrrolidinyl]carbamate, identified by its CAS number 1286208-16-9, is a chemical compound characterized by its complex structure, which includes a carbamate functional group and a pyrrolidine ring. This compound features a dimethyl group attached to a tert-butyl moiety, contributing to its steric bulk. The presence of a chlorophenyl group indicates potential for hydrophobic interactions, while the pyrrolidine ring suggests possible conformational flexibility. The stereochemistry at the pyrrolidine position is significant, as it can influence the compound's biological activity and interactions with receptors or enzymes. Generally, compounds of this nature may exhibit pharmacological properties, making them of interest in medicinal chemistry. Additionally, the presence of chlorine in the aromatic ring can enhance lipophilicity and alter the compound's reactivity. Overall, this compound's unique structural features may contribute to its potential applications in various fields, including pharmaceuticals and agrochemicals.
Formula:C16H23ClN2O2
InChI:InChI=1S/C16H23ClN2O2/c1-16(2,3)21-15(20)18-14-7-8-19(11-14)10-12-5-4-6-13(17)9-12/h4-6,9,14H,7-8,10-11H2,1-3H3,(H,18,20)/t14-/m0/s1
InChI key:InChIKey=XCTBVQRSGNTTDV-AWEZNQCLSA-N
SMILES:C(N1C[C@@H](NC(OC(C)(C)C)=O)CC1)C2=CC(Cl)=CC=C2
Synonyms:
  • 1,1-Dimethylethyl N-[(3S)-1-[(3-chlorophenyl)methyl]-3-pyrrolidinyl]carbamate
  • tert-Butyl (S)-(1-(3-chlorobenzyl)pyrrolidin-3-yl)carbamate
  • tert-Butyl N-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]carbamate
  • Carbamic acid, N-[(3S)-1-[(3-chlorophenyl)methyl]-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
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