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CS-W001157 4
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4-(Hydroxymethyl)oxane-4-carbonitrile

  • CAS No. 1010836-56-2

  • Cat. No. CS-0008711
  • Purity≥98%
  • MDL No.MFCD19103514

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

4-(Hydroxymethyl)oxane-4-carbonitrile|CS-0008711

Structure of 1010836-56-2

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General Information

  • CAS No. 1010836-56-2
  • Cat. No. CS-0008711
  • Purity ≥98%
  • MDL No. MFCD19103514
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₁NO₂
  • Molecular Weight 141.17
  • Synonym(s) None
  • SMILES N#CC1(CO)CCOCC1

Description

4-(Hydroxymethyl)oxane-4-carbonitrile features a pendant hydroxymethyl group attached to a saturated oxane ring, bearing a nitrile functionality at the 4-position. This configuration enables integration into complex heterocyclic scaffolds and facilitates downstream derivatization via alcohol oxidation or nitrile transformation. The molecule exhibits favorable solubility in polar solvents and stability under standard bench conditions.

Application

4-(Hydroxymethyl)oxane-4-carbonitrile serves as a versatile bifunctional building block for the synthesis of heterocyclic scaffolds and functionalized intermediates. The pendant hydroxymethyl group enables facile derivatization via oxidation, protection, or substitution, while the nitrile moiety offers compatibility with nucleophilic addition and reduction reactions. Its stable cyclic ether framework provides robustness in standard organic transformations, facilitating efficient access to complex molecular architectures relevant to medicinal chemistry and materials science.

Synthesis

  • Route1

    References

    • Kyowa Hakko Kirin Co., Ltd. Patent: EP2090570 A1, 2009 ; Location in patent: Page/Page column 96 ; EP 2090570 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331
Precautionary Statements : P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P311-P312-P330-P361-P363-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   53.25
  • LogP   0.29908
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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