CAS 1286207-90-6

1,1-Dimethylethyl N-[(3S)-1-[(4-methylphenyl)methyl]-3-pyrrolidinyl]carbamate

Description:

1,1-Dimethylethyl N-[(3S)-1-[(4-methylphenyl)methyl]-3-pyrrolidinyl]carbamate, identified by its CAS number 1286207-90-6, is a chemical compound characterized by its complex structure, which includes a carbamate functional group and a pyrrolidine ring. This compound features a tert-butyl group (1,1-dimethylethyl) that contributes to its steric bulk, potentially influencing its reactivity and interaction with biological targets. The presence of the 4-methylphenyl group suggests that it may exhibit hydrophobic characteristics, which can affect its solubility and permeability in biological systems. The stereochemistry indicated by the (3S) configuration implies that the compound may have specific interactions with chiral environments, such as enzymes or receptors, which could be relevant in pharmacological contexts. Overall, the unique combination of functional groups and stereochemistry in this compound may confer specific biological activities, making it of interest in medicinal chemistry and drug development. Further studies would be necessary to elucidate its precise properties and potential applications.

Formula: C₁₇H₂₆N₂O₂

InChI: InChI=1S/C17H26N2O2/c1-13-5-7-14(8-6-13)11-19-10-9-15(12-19)18-16(20)21-17(2,3)4/h5-8,15H,9-12H2,1-4H3,(H,18,20)/t15-/m0/s1

InChI key: InChIKey=VWLSSVHMGGWIDG-HNNXBMFYSA-N

SMILES: C(N1C[C@@H](NC(OC(C)(C)C)=O)CC1)C2=CC=C(C)C=C2

Synonyms:

• Carbamic acid, N-[(3S)-1-[(4-methylphenyl)methyl]-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
• tert-Butyl N-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]carbamate
• 1,1-Dimethylethyl N-[(3S)-1-[(4-methylphenyl)methyl]-3-pyrrolidinyl]carbamate

(S)-tert-Butyl 1-(4-methylbenzyl)pyrrolidin-3-ylcarbamate

CAS: 1286207-90-6

Formula: C₁₇H₂₆N₂O₂

Purity: 95.0%

Molecular weight: 290.407

Ref: 10-F064208