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2-[6,6-dimethyl-2-(2-naphthylmethyl)cyclohex-1-enyl]ethanal | 1075731-34-8

中文名称
——
中文别名
——
英文名称
2-[6,6-dimethyl-2-(2-naphthylmethyl)cyclohex-1-enyl]ethanal
英文别名
——
2-[6,6-dimethyl-2-(2-naphthylmethyl)cyclohex-1-enyl]ethanal化学式
CAS
1075731-34-8
化学式
C21H24O
mdl
——
分子量
292.421
InChiKey
ZXNPSVVIGHDULO-UHFFFAOYSA-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):
    5.48
  • 重原子数:
    22.0
  • 可旋转键数:
    4.0
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.38
  • 拓扑面积:
    17.07
  • 氢给体数:
    0.0
  • 氢受体数:
    1.0

反应信息

  • 作为反应物:
    描述:
    全氟丁基磺酰氟2-[6,6-dimethyl-2-(2-naphthylmethyl)cyclohex-1-enyl]ethanalpotassium tert-butylate 作用下, 以 四氢呋喃 为溶剂, 以56%的产率得到(E)-2-[6,6-dimethyl-2-(2-naphthylmethyl)cyclohex-1-enyl]ethenyl nonafluorobutanesulfonate
    参考文献:
    名称:
    Preparation and biological evaluation of 5-substituted retinoic acids
    摘要:
    Various 5-substituted retinoic acids were prepared by a palladium-catalyzed cross coupling reactions of vinyl nonaflates and E-or Z-3-tributylstannyl-2-beten-1-ol as a key reaction. These coupling products were then converted to the corresponding all-E-and 9Z-retinoic acid analogs via Horner -Emmons reaction and subsequent basic hydrolysis, and their biological activities were evaluated. The all-E-derivatives, 5-butyl and isobutyl analogs exhibited stronger effects for anti-proliferative and differentiation-inducing activities in HL-60 cells. In contrast, in 9Z-derivatives, none of the analogs showed any activity. (C) 2008 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmc.2008.08.025
  • 作为产物:
    描述:
    1-ethynyl-6-(2-naphthylmethyl)-2,2-dimethylcyclohexanol 在 hydroxy(triphenyl)silane,oxovanadium 、 苯甲酸 作用下, 以 xylene 为溶剂, 反应 2.0h, 以83%的产率得到2-[6,6-dimethyl-2-(2-naphthylmethyl)cyclohex-1-enyl]ethanal
    参考文献:
    名称:
    Preparation and biological evaluation of 5-substituted retinoic acids
    摘要:
    Various 5-substituted retinoic acids were prepared by a palladium-catalyzed cross coupling reactions of vinyl nonaflates and E-or Z-3-tributylstannyl-2-beten-1-ol as a key reaction. These coupling products were then converted to the corresponding all-E-and 9Z-retinoic acid analogs via Horner -Emmons reaction and subsequent basic hydrolysis, and their biological activities were evaluated. The all-E-derivatives, 5-butyl and isobutyl analogs exhibited stronger effects for anti-proliferative and differentiation-inducing activities in HL-60 cells. In contrast, in 9Z-derivatives, none of the analogs showed any activity. (C) 2008 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmc.2008.08.025
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