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CS-W001157 4
Total: USD 88.00

tert-butyl 3,3-difluoro-4-hydroxypyrrolidine-1-carboxylate

  • CAS No. 1434141-81-7

  • Cat. No. CS-W001438
  • Purity≥98%
  • MDL No.MFCD27956892

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

tert-butyl 3,3-difluoro-4-hydroxypyrrolidine-1-carboxylate|CS-W001438

Structure of 1434141-81-7

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General Information

  • CAS No. 1434141-81-7
  • Cat. No. CS-W001438
  • Purity ≥98%
  • MDL No. MFCD27956892
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₅F₂NO₃
  • Molecular Weight 223.22
  • Synonym(s) 3,3-Difluoro-4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester
  • SMILES O=C(N1CC(C(C1)(F)F)O)OC(C)(C)C

Description

tert-Butyl 3,3-difluoro-4-hydroxypyrrolidine-1-carboxylate features a sterically shielded pyrrolidine core with dual fluorine atoms at the 3-position, enhancing metabolic stability and lipophilicity. The pendant hydroxyl group enables direct derivatization or protection, while the tert-butyl ester facilitates straightforward deprotection under mild acidic conditions. This scaffold integrates seamlessly into bioactive molecule design for medicinal chemistry applications.

Application

tert-Butyl 3,3-difluoro-4-hydroxypyrrolidine-1-carboxylate serves as a versatile building block for fluorinated pyrrolidine scaffolds in medicinal chemistry. The difluoro substitution at C3 enhances metabolic stability and modulates basicity, while the hydroxyl group enables downstream functionalization via oxidation, protection, or coupling reactions. Its tert-butyl carbamate moiety offers excellent bench stability and simplifies purification, facilitating integration into multi-step syntheses of bioactive molecules.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

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Computational Chemistry Data

  • TPSA   49.77
  • LogP   1.2333
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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