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CS-W001157 4
Total: USD 88.00

(3,3-Difluorocyclobutyl)methanol

  • CAS No. 681128-39-2

  • Cat. No. CS-0044080
  • Purity≥98%
  • MDL No.MFCD11877861

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

(3,3-Difluorocyclobutyl)methanol|CS-0044080

Structure of 681128-39-2

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General Information

  • CAS No. 681128-39-2
  • Cat. No. CS-0044080
  • Purity ≥98%
  • MDL No. MFCD11877861
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈F₂O
  • Molecular Weight 122.11
  • Synonym(s) 3,3-Difluoro-cyclobutanemethanol
  • SMILES OCC1CC(F)(F)C1

Description

This difluorocyclobutylmethanol features a strained cyclobutane ring bearing two fluorine atoms at adjacent positions, imparting enhanced metabolic stability and lipophilic character. The primary alcohol functionality enables direct derivatization or incorporation into bioactive scaffolds. Designed for synthetic applications in medicinal chemistry and agrochemical development.

Application

(3,3-Difluorocyclobutyl)methanol serves as a valuable building block for fluorinated heterocycles and bioactive molecule synthesis. Its difluorocyclobutane core imparts metabolic stability and enhanced membrane permeability, while the primary alcohol facilitates straightforward derivatization via esterification, ether formation, or coupling reactions. The compound exhibits good bench stability and functional group tolerance, enabling efficient incorporation into complex scaffolds relevant to medicinal chemistry and agrochemical development.

Synthesis

  • Route1

    References

    • PFIZER LIMITED Patent: US2012/10183 A1, 2012 ; Location in patent: Page/Page column 40 ; US 20120010183 A1
  • Route2

    References

    • PFIZER LIMITED; GIBSON, Karl Richard; GREEN, Martin Peter; UNDERWOOD, Toby James; WAKENHUT, Florian Patent: WO2010/32200 A1, 2010 ; Location in patent: Page/Page column 147-148 ; WO 2010/032200 A1
  • Route3

    References

    • US2012/122843 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 1987
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   1.024
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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