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CS-W001157 4
Total: USD 88.00

tert-Butyl (2,2-difluoro-3-hydroxypropyl)carbamate

  • CAS No. 1314398-21-4

  • Cat. No. CS-0043621
  • Purity≥97%
  • MDL No.MFCD20483313

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

tert-Butyl (2,2-difluoro-3-hydroxypropyl)carbamate|CS-0043621

Structure of 1314398-21-4

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General Information

  • CAS No. 1314398-21-4
  • Cat. No. CS-0043621
  • Purity ≥97%
  • MDL No. MFCD20483313
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₅F₂NO₃
  • Molecular Weight 211.21
  • Synonym(s) tert-butyl 2,2-difluoro-3-hydroxypropylcarbamate
  • SMILES O=C(OC(C)(C)C)NCC(F)(F)CO

Description

tert-Butyl (2,2-difluoro-3-hydroxypropyl)carbamate features a difluorinated propyl backbone with a hydroxyl group at the terminal position, enabling selective derivatization in synthetic workflows. The tert-butyl carbamate moiety provides stable protection under standard conditions, while the electron-withdrawing fluorine atoms enhance functional group compatibility and metabolic stability in complex molecular architectures.

Application

tert-Butyl (2,2-difluoro-3-hydroxypropyl)carbamate serves as a stable, bench-friendly building block for fluorinated alcohols and β-fluorinated carbonyl precursors. The difluoro group enhances metabolic stability, while the hydroxyl functionality enables efficient derivatization via esterification or ether formation. Its tert-butyl carbamate moiety provides orthogonal protection, facilitating selective deprotection under mild acidic conditions. This compound functions effectively in multistep synthesis of fluorinated scaffolds relevant to medicinal chemistry and agrochemical development.

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-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   58.56
  • LogP   1.1387
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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