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[2-(4-fluoro-phenyl)-1-(5-naphthalen-2-yl-4-oxo-tetrahydro-pyran-2-yl)-ethyl]carbamic acid tert-butyl ester | 524018-19-7

中文名称
——
中文别名
——
英文名称
[2-(4-fluoro-phenyl)-1-(5-naphthalen-2-yl-4-oxo-tetrahydro-pyran-2-yl)-ethyl]carbamic acid tert-butyl ester
英文别名
——
[2-(4-fluoro-phenyl)-1-(5-naphthalen-2-yl-4-oxo-tetrahydro-pyran-2-yl)-ethyl]carbamic acid tert-butyl ester化学式
CAS
524018-19-7
化学式
C28H30FNO4
mdl
——
分子量
463.549
InChiKey
QNUPOXRWXXZIMZ-BFLUCZKCSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    5.56
  • 重原子数:
    34.0
  • 可旋转键数:
    5.0
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.36
  • 拓扑面积:
    64.63
  • 氢给体数:
    1.0
  • 氢受体数:
    4.0

上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    [2-(4-fluoro-phenyl)-1-(5-naphthalen-2-yl-4-oxo-tetrahydro-pyran-2-yl)-ethyl]carbamic acid tert-butyl ester 在 palladium dichloride sodium tetrahydroborate 、 氢气 、 sodium hydride 作用下, 以 四氢呋喃乙醇 为溶剂, 反应 4.0h, 生成 [1-(4-cyanomethyl-5-naphthalen-2-yl-tetrahydro-pyran-2-yl)-2-(4-fluoro-phenyl)-ethyl]carbamic acid tert-butyl ester
    参考文献:
    名称:
    Synthesis of 2,4,5-Trisubstituted Tetrahydropyrans as Peptidomimetic Scaffolds for Melanocortin Receptor Ligands
    摘要:
    We have synthesized a series of 2,4,5-trisubstituted tetrahydropyran derivatives to determine the utility of this scaffold as a peptidomimetic platform. The key synthetic steps involved a palladium-mediated cross-coupling reaction of a dihydropyran-4-one moiety to introduce R-2 followed by a sequential regio- and diastereoselective reduction of sp(2) carbon centers. Selected compounds have shown biological activity at melanocortin receptors, indicating that this scaffold may be useful in the design of peptidomimetics relating to a tripeptide structure.
    DOI:
    10.1021/ol027281v
  • 作为产物:
    参考文献:
    名称:
    Synthesis of 2,4,5-Trisubstituted Tetrahydropyrans as Peptidomimetic Scaffolds for Melanocortin Receptor Ligands
    摘要:
    We have synthesized a series of 2,4,5-trisubstituted tetrahydropyran derivatives to determine the utility of this scaffold as a peptidomimetic platform. The key synthetic steps involved a palladium-mediated cross-coupling reaction of a dihydropyran-4-one moiety to introduce R-2 followed by a sequential regio- and diastereoselective reduction of sp(2) carbon centers. Selected compounds have shown biological activity at melanocortin receptors, indicating that this scaffold may be useful in the design of peptidomimetics relating to a tripeptide structure.
    DOI:
    10.1021/ol027281v
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