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CS-W001157 4
Total: USD 88.00

3-Methyloxetan-3-ol

  • CAS No. 162816-08-2

  • Cat. No. CS-W005276
  • Molecule weight88.11
  • Purity≥97%
  • MDL No.MFCD18909291

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

3-Methyloxetan-3-ol|CS-W005276

Structure of 162816-08-2

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General Information

  • CAS No. 162816-08-2
  • Cat. No. CS-W005276
  • Purity ≥97%
  • MDL No. MFCD18909291
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₈O₂
  • Molecular Weight 88.11
  • Synonym(s) None
  • SMILES OC1(C)COC1

Description

3-Methyloxetan-3-ol is a stable, moisture-tolerant oxetane derivative featuring a tertiary hydroxyl group. This structure imparts enhanced solubility and reactivity in synthetic transformations, enabling efficient incorporation into bioactive molecules. Its compact ring system facilitates metabolic stability while maintaining favorable physicochemical properties for drug discovery applications.

Application

3-Methyloxetan-3-ol serves as a stable, bench-ready building block for the synthesis of oxetane-containing pharmaceuticals and agrochemicals. Its tertiary hydroxyl group enables straightforward functionalization via Mitsunobu or oxidation protocols, while the strained oxetane ring facilitates bioisosteric replacement in medicinal chemistry. The compound exhibits excellent functional group tolerance and ease of purification, making it a practical scaffold for high-throughput library construction and process-scale applications.

Synthesis

  • Route1

    References

    • Bristol-Myers Squibb Company; Hiebert, Sheldon; Rajamani, Ramkumar; Sun, Li-Qiang; Mull, Eric; Gillis, Eric P.; Bowsher, Michael S.; Zhao, Qian; Meanwell, Nicholas A.; Renduchintala, Kishore V.; Sarkunam, Kandhasamy; Nagalakshmi, Pulicharla; Babu, P. V. K. Suresh; Scola, Paul Michael Patent: US2013/115190 A1, 2013 ; Location in patent: Page/Page column ;

Safety Information

Download SDS
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 : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   29.46
  • LogP   -0.2324
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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