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tert-Butyl 3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate

  • CAS No. 1262410-84-3

  • Cat. No. CS-0037378
  • Purity≥97%
  • MDL No.MFCD18375053

*For research and further manufacturing use only, not for direct human use.

tert-Butyl 3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate|CS-0037378

Structure of 1262410-84-3

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General Information

  • CAS No. 1262410-84-3
  • Cat. No. CS-0037378
  • Purity ≥97%
  • MDL No. MFCD18375053
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₈FNO₃
  • Molecular Weight None
  • Synonym(s) 1-Pyrrolidinecarboxylic acid, 3-fluoro-3-(hydroxymethyl)-, 1,1-dimethylethyl ester
  • SMILES CC(C)(C)OC(=O)N1CCC(C1)(CO)F

Description

tert-Butyl 3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate features a fluorinated pyrrolidine core with a pendant hydroxymethyl group, enabling direct functionalization at the C3 position. The tert-butyl ester facilitates straightforward deprotection under mild acidic conditions. This scaffold integrates readily into bioactive molecule synthesis, offering enhanced metabolic stability and conformational rigidity for medicinal chemistry applications.

Application

tert-Butyl 3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate serves as a versatile pyrrolidine-based building block for medicinal chemistry, enabling the synthesis of fluorinated heterocyclic scaffolds. The molecule combines a stable tert-butyl carbamate protecting group with a reactive hydroxymethyl and fluorine substituent, facilitating selective functionalization and downstream transformations. Its bench-stable nature and compatibility with standard coupling and reduction protocols make it suitable for multi-step synthesis workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P264-P270-P330

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Computational Chemistry Data

  • TPSA   49.77
  • LogP   1.3278
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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