CAS 1233860-31-5

1,1-Dimethylethyl N-[(3S)-1-(3-fluoro-2-nitrophenyl)-3-pyrrolidinyl]carbamate

Description:

1,1-Dimethylethyl N-[(3S)-1-(3-fluoro-2-nitrophenyl)-3-pyrrolidinyl]carbamate, identified by its CAS number 1233860-31-5, is a chemical compound characterized by its complex structure, which includes a carbamate functional group and a pyrrolidine ring. The presence of a fluoro and nitro substituent on the phenyl ring contributes to its unique reactivity and potential biological activity. This compound is likely to exhibit specific pharmacological properties, making it of interest in medicinal chemistry. Its molecular structure suggests it may interact with biological targets, potentially influencing neurotransmitter systems or other physiological pathways. The steric hindrance introduced by the dimethyl groups may affect its solubility and permeability, which are critical factors in drug design. Additionally, the chirality at the pyrrolidine center indicates that it may exist in enantiomeric forms, which can have different biological effects. Overall, this compound represents a class of molecules that could be explored for therapeutic applications, particularly in the fields of neuropharmacology or as potential drug candidates.

Formula: C₁₅H₂₀FN₃O₄

InChI: InChI=1S/C15H20FN3O4/c1-15(2,3)23-14(20)17-10-7-8-18(9-10)12-6-4-5-11(16)13(12)19(21)22/h4-6,10H,7-9H2,1-3H3,(H,17,20)/t10-/m0/s1

InChI key: InChIKey=NLGWUSCKTSAXBI-JTQLQIEISA-N

SMILES: N(=O)(=O)C1=C(C=CC=C1F)N2C[C@@H](NC(OC(C)(C)C)=O)CC2

Synonyms:

• Carbamic acid, N-[(3S)-1-(3-fluoro-2-nitrophenyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl N-[(3S)-1-(3-fluoro-2-nitrophenyl)-3-pyrrolidinyl]carbamate

(S)-tert-Butyl 1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-ylcarbamate

CAS: 1233860-31-5

Formula: C₁₅H₂₀FN₃O₄

Purity: 95.0%

Molecular weight: 325.34

Ref: 10-F063612