CAS 1233859-90-9

1,1-Dimethylethyl N-[(3S)-1-(4-fluoro-2-nitrophenyl)-3-pyrrolidinyl]carbamate

Description:

1,1-Dimethylethyl N-[(3S)-1-(4-fluoro-2-nitrophenyl)-3-pyrrolidinyl]carbamate, identified by its CAS number 1233859-90-9, is a chemical compound characterized by its complex molecular structure, which includes a carbamate functional group and a pyrrolidine ring. This compound features a dimethyl substituent that enhances its steric properties, while the presence of a fluoro and nitro group on the phenyl ring contributes to its electronic characteristics, potentially influencing its reactivity and biological activity. The stereochemistry indicated by the (3S) designation suggests specific spatial arrangements that may affect the compound's interactions with biological targets. Typically, such compounds are of interest in medicinal chemistry and pharmacology due to their potential therapeutic applications. The presence of both electron-withdrawing and electron-donating groups can significantly impact the compound's solubility, stability, and overall reactivity. Safety and handling precautions are essential when working with this substance, as with many organic compounds, due to potential toxicity or environmental hazards.

Formula: C₁₅H₂₀FN₃O₄

InChI: InChI=1S/C15H20FN3O4/c1-15(2,3)23-14(20)17-11-6-7-18(9-11)12-5-4-10(16)8-13(12)19(21)22/h4-5,8,11H,6-7,9H2,1-3H3,(H,17,20)/t11-/m0/s1

InChI key: InChIKey=QZRUKZQHWCUKPH-NSHDSACASA-N

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

Synonyms:

• Carbamic acid, N-[(3S)-1-(4-fluoro-2-nitrophenyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
• (S)-tert-Butyl 1-(4-fluoro-2-nitrophenyl)pyrrolidin-3-ylcarbamate
• 1,1-Dimethylethyl N-[(3S)-1-(4-fluoro-2-nitrophenyl)-3-pyrrolidinyl]carbamate

(S)-tert-Butyl 1-(4-fluoro-2-nitrophenyl)pyrrolidin-3-ylcarbamate

CAS: 1233859-90-9

Formula: C₁₅H₂₀FN₃O₄

Purity: 95.0%

Molecular weight: 325.34

Ref: 10-F063590