2',4,4'-tris(methoxymethoxy)chalcone | 115523-91-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 2',4,4'-tris(methoxymethoxy)chalcone
• 英文别名: 4,2',4'-tri(methoxymethoxy)chalcone；(E)-1-[2,4-bis(methoxymethoxy)phenyl]-3-[4-(methoxymethoxy)phenyl]prop-2-en-1-one
• CAS: 115523-91-6
• 化学式: C₂₁H₂₄O₇
• 分子量: 388.417
• InChiKey: TXHUIQCSIULBRP-IZZDOVSWSA-N

物化性质

• 沸点：
  541.7±50.0 °C(Predicted)
• 密度：
  1.175±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  28
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  72.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2',4,4'-tris(methoxymethoxy)chalcone 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以98%的产率得到异甘草素
  参考文献：
  名称：

  Reinvestigation of the Synthesis of Isoliquiritigenin: Application of Horner-Wadsworth-Emmons Reaction and Claisen-Schmidt Condensation

  摘要：

  利用 β-酮膦酸盐 5a 和 b，通过 Horner-Wadsworth-Emmons 反应轻松制备了异喹硫甙元[ILG，(E)-1]。

  DOI：

  10.1248/cpb.59.885
• 作为产物：
  描述：

  2,4-二羟基苯乙酮 在 N,N-二异丙基乙胺 、 potassium hydroxide 作用下， 以 乙醇 、 水 、 乙腈 为溶剂， 反应 11.5h， 生成 2',4,4'-tris(methoxymethoxy)chalcone
  参考文献：
  名称：

  Reinvestigation of the Synthesis of Isoliquiritigenin: Application of Horner-Wadsworth-Emmons Reaction and Claisen-Schmidt Condensation

  摘要：

  利用 β-酮膦酸盐 5a 和 b，通过 Horner-Wadsworth-Emmons 反应轻松制备了异喹硫甙元[ILG，(E)-1]。

  DOI：

  10.1248/cpb.59.885

文献信息

• Anti-ulcer agent comprising chalcone derivative as effective ingredient
  申请人：Tsumura & Co.

  公开号：US05106871A1

  公开（公告）日：1992-04-21

  The present invention relates to an anti-ulcer agent comprising a compound represented by the following general formula I as the effective ingredient, and a novel chalcone derivative included in the compound represented by this general formula I: ##STR1## wherein X and Y independently stand for a hydrogen atom or together form a single bond, R.sub.1 stands for a hydroxyl group, an acetoxy group, a carboxymethoxy group or a methoxycarbonylmethoxy group, R.sub.2 stands for a hydrogen atom, an isoprenyl group, isopentyl group or a propyl group, R.sub.3 stands for hydroxyl group or a methoxy group, R.sub.4 stands for a hydrogen atom, a hydroxyl group or a methoxy group, R.sub.5 stands for a hydrogen atom, a hydroxyl group, a methoxy group or an isopentyl group, R.sub.6 stands for a hydroxyl group, a methoxy group or a carboxymethoxy group, and R.sub.7 stands for a hydrogen atom or a methoxy group.

  本发明涉及一种抗溃疡剂，其包括以下一般式I所代表的化合物作为有效成分，以及包含在由该一般式I所代表的化合物中的一种新的查尔酮衍生物：##STR1## 其中X和Y独立地代表氢原子或共同形成一个单键，R.sub.1代表羟基、乙酰氧基、羧甲氧基或甲氧羰基甲氧基，R.sub.2代表氢原子、异戊二烯基、异戊基或丙基，R.sub.3代表羟基或甲氧基，R.sub.4代表氢原子、羟基或甲氧基，R.sub.5代表氢原子、羟基、甲氧基或异戊基，R.sub.6代表羟基、甲氧基或羧甲氧基，R.sub.7代表氢原子或甲氧基。
• ANTI-ULCEROUS AGENT CONTAINING CHALCONE DERIVATIVE AS EFFECTIVE INGREDIENT AND NOVEL CHALCONE DERIVATIVES
  申请人：TSUMURA & CO.

  公开号：EP0292576A1

  公开（公告）日：1988-11-30

  An anti-ulcerous agent containing a compound represented by general formula (I) as effective ingredient and novel chalcone derivatives included by the compounds. In the disclosed formula X and Y each represents a hydrogen atom or, when taken together, they represent a direct bond, R1 represents a hydroxy, acetoxy, carbomethoxy or methoxycarbonylmethoxy group, R2 represents a hydrogen atom or an isoprenyl, isopentyl or propyl group, R3 represents a hydroxy or methoxy group, R4 represents a hydrogen atom or a hydroxy or methoxy group, Rs represents a hydrogen atom or a hydroxy, methoxy or isopentyl group, R6 represents a hydroxy, methoxy or carbomethoxy group, and R7 represents a hydrogen atom or a methoxy group.

  一种抗溃疡剂，含有通式(I)代表的化合物作为有效成分，以及由该化合物包含的新型查尔酮衍生物。在所公开的式中，X 和 Y 各代表一个氢原子，或当它们结合在一起时，代表一个直接键，R1 代表羟基、乙酰氧基、羰基甲氧基或甲氧基羰基甲氧基，R2 代表一个氢原子或异丙基、异戊基或丙基、R3 代表羟基或甲氧基，R4 代表氢原子或羟基或甲氧基，Rs 代表氢原子或羟基、甲氧基或异戊基，R6 代表羟基、甲氧基或羰基甲氧基，R7 代表氢原子或甲氧基。
• Isolation and synthesis of a dimeric dihydrochalcone from Agapanthus africanus
  作者：Bukirwa I. Kamara、Dale T.L. Manong、Edward V. Brandt

  DOI：10.1016/j.phytochem.2005.04.007

  日期：2005.5

  A new dimeric dihydrochalcone, rel-(1 beta,2 alpha)-di-(2,4-dihydroxybenzoyl)-rel-(3 beta,4 alpha)-di-(4-hydroxyphenyl)-cyclobutane, accompanied by its apparent precursor, the known chalcone isoliquiritigenin, have been isolated from the roots of Agapanthus africanus (Liliaceae). The structure is based on spectroscopic methods including extensive NMR analyses mass spectrometry and circular dichroism. Conclusions regarding the structure and relative configuration are supported by synthesis of the dimeric dihydrochalcone via a pericyclic [(pi)2(s) + (pi)2(s)] photocyclo-addition of the corresponding chalcone and consideration of the molecular symmetry involved. (c) 2005 Elsevier Ltd. All rights reserved.
• Bezuidenhoudt, Barend C. B.; Swanepoel, Annelie; Brandt, E. Vincent, Journal of the Chemical Society. Perkin transactions I, 1990, # 9, p. 2599 - 2602
  作者：Bezuidenhoudt, Barend C. B.、Swanepoel, Annelie、Brandt, E. Vincent、Ferreira, Daneel

  DOI：——

  日期：——
• BEZUIDENHOUDT, BAREND C. B.;SWANEPOEL, ANNELIE;BRANDT, E. VINCENT;FERREIR+, J. CHEM. SOC. PERKIN TRANS. PT 1,(1990) N, C. 2599-2602
  作者：BEZUIDENHOUDT, BAREND C. B.、SWANEPOEL, ANNELIE、BRANDT, E. VINCENT、FERREIR+

  DOI：——

  日期：——