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2'-hydroxy-2,3-dimethoxy-6",6"-dimethyl-4",5"-dihydropyrano<2,"3":4',5'>chalcone | 148180-70-5

中文名称
——
中文别名
——
英文名称
2'-hydroxy-2,3-dimethoxy-6",6"-dimethyl-4",5"-dihydropyrano<2,"3":4',5'>chalcone
英文别名
(E)-3-(2,3-dimethoxyphenyl)-1-(7-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)prop-2-en-1-one
2'-hydroxy-2,3-dimethoxy-6",6"-dimethyl-4",5"-dihydropyrano<2,"3":4',5'>chalcone化学式
CAS
148180-70-5
化学式
C22H24O5
mdl
——
分子量
368.43
InChiKey
CKXMFQFZNIDORP-CMDGGOBGSA-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):
    4.8
  • 重原子数:
    27
  • 可旋转键数:
    5
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.32
  • 拓扑面积:
    65
  • 氢给体数:
    1
  • 氢受体数:
    5

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

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文献信息

  • 13C nuclear magnetic resonance studies on pyrano- and dihydropyrano-1,3- diphenylprop-2-enones
    作者:V. S. Parmar、S. K. Sharma、A. Vardhan、R. K. Sharma、S. Gupta、S. Malhotra、P. M. Boll
    DOI:10.1002/mrc.1260300619
    日期:1992.6
    The 13C NMR spectra of 19 differently substituted pyrano- and dihydropyrano-1,3-diphenylprop-2-enones were recorded and the results are discussed. The data will be useful in the identification of new and natural chalcones.
    记录了 19 种不同取代的吡喃-和二氢吡喃-1,3-二苯基丙-2-烯酮的 13C NMR 谱,并对结果进行了讨论。这些数据将有助于鉴定新的天然查耳酮。
  • New fragmentation pathways in the electron impact mass spectrometry of derivatized pyrano-1,3-diphenylprop-2-enones
    作者:Virinder S. Parmar、Sunil K. Sharma、Anand Vardhan、Rakesh K. Sharma、Jørgen Møller、Per M. Boll
    DOI:10.1002/oms.1210280106
    日期:1993.1
    AbstractThe fragmentation patterns of closely related chalcones, cinnamoylchromans and cinnamoylchromenes, are reported to be strikingly different. The mass spectra of the first group show peaks typical of the fragmentation of simple chalcones balanced by additional fragmentation routes competing effectively with the typical chalcone fragmentation. For the other group with the introduced double bond the fragmentation is considerably changed. Initial loss of a methyl group gives rise to formation of the base peak in three of four examples. The [M – CH3]+ ion decomposes further, eliminating a styrene yielding the m/z 187 ion. This process may be rationalized as a retro‐Diels–Alder fragmentation of a flavanone formed on intramolecular rearrangement of the molecular ion.
  • Parmar; Bisht; Jain, Rajni, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1996, vol. 35, # 3, p. 220 - 232
    作者:Parmar、Bisht、Jain, Rajni、Singh, Suddham、Sharma、Gupta, Suman、Malhotra, Sanjay、Tyagi、Vardhan, Anand、Pati、Vanden Berghe、Vlietinck
    DOI:——
    日期:——
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