2-<3-(4-methoxyphenyl)-1,3-dioxopropyl>benzoic acid | 99762-40-0

• 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-<3-(4-methoxyphenyl)-1,3-dioxopropyl>benzoic acid
• 英文别名: 4'-methoxy-2-carboxydibenzoylmethane；4'-Methoxy dibenzoylmethane-2-carboxylic acid；2-[3-(4-methoxyphenyl)-3-oxopropanoyl]benzoic acid
• CAS: 99762-40-0
• 化学式: C₁₇H₁₄O₅
• 分子量: 298.295
• InChiKey: OHWCWTZNVDCVPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-<3-(4-methoxyphenyl)-1,3-dioxopropyl>benzoic acid 以67%的产率得到
  参考文献：
  名称：

  XORI, KIMIXIKO;TAKAISI, NAOTAKEH

  摘要：

  DOI：
• 作为产物：
  描述：

  苯酐 、 对甲氧基苯乙酮 在 sodium methylate 作用下， 以 xylene 为溶剂， 反应 2.0h， 以87%的产率得到2-<3-(4-methoxyphenyl)-1,3-dioxopropyl>benzoic acid
  参考文献：
  名称：

  A Convenient Synthesis of 3-Phenacylidenephthalides

  摘要：

  3-苯甲酰亚甲基邻苯二甲酸酯是通过2-（1,3-二氧-3-苯基丙基）苯甲酸的脱水作用制备的，而后者又是通过邻苯二甲酸酐与苯乙酮的缩合反应获得的。

  DOI：

  10.1246/bcsj.61.1791

文献信息

• Process for preparing 2-carboxydibenzoylmethanes
  申请人：Kao Corporation

  公开号：US04670585A1

  公开（公告）日：1987-06-02

  2-Carboxydibenzoylmethanes of the following formula ##STR1## in which R.sub.1 and R.sub.2 are independently a substituent joined to any position of the benzene nucleus and represent a hydrogen atom, a halogen atom, a linear or branched alkyl or alkenyl group having from 1 to 18 carbon atoms, or a linear or branched, saturated or unsaturated alkoxy group having from 1 to 18 carbon atoms, m is an integer of from 1 to 4, and n is an integer of from 1 to 5 are prepared inexpensively with ease in high yield by a novel process characterized by reaction between phthalic anhydrides and acetophenones in the presence of bases. The 2-carboxydibenzoylmethanes are useful as an inhibitor of the root geotropic response of plants or a growth regulator for plants, or a stabilizer for halogen-containing resins.

  以下化学式的2-羧基二苯甲酮 ##STR1## 中，其中R.sub.1和R.sub.2独立地表示连接到苯环的任意位置的取代基，可代表氢原子、卤素原子、具有1到18个碳原子的直链或支链烷基或烯基基团，或具有1到18个碳原子的直链或支链、饱和或不饱和的烷氧基团，m为1到4的整数，n为1到5的整数。通过一种新颖的方法，通过邻苯二甲酸酐和苯乙酮在碱的存在下反应，可以以高产率廉价地制备这些2-羧基二苯甲酮。这些2-羧基二苯甲酮可用作植物根地性反应的抑制剂、植物生长调节剂或含卤树脂的稳定剂。
• Process for preparing 3-phenacylidene phthalides
  申请人：Kao Corporation

  公开号：US04698435A1

  公开（公告）日：1987-10-06

  A novel process for preparing a 3-phenacylidene phthalide of the general formula (II) ##STR1## which comprises reacting a halogenating reagent with a 2-carboxydibenzoylmethane. The 2-carboxydibenzoylmethane can be inexpensively prepared, so that the 3-phenacylidene phthalides which are useful as a growth regulant for plants and a safering agent to reduce herbicidal injury to plants can be readily obtained economically in high yield.

  一种制备一种通式（II）的3-苯乙酰亚苯甲酮的新工艺，包括将卤化试剂与2-羧基二苯乙酮反应。2-羧基二苯乙酮可以便宜地制备，因此可以经济地高产地获得可用作植物生长调节剂和减少对植物的除草伤害的3-苯乙酰亚苯甲酮。
• 4-methoxy-2'-carboxydibenzoylmethane and its salts
  申请人：Kao Corporation

  公开号：US04704473A1

  公开（公告）日：1987-11-03

  4-methoxy-2'-carboxydibenzoylmethane of the following general formula (I) ##STR1## is prepared by reacting p-methoxyacetophenone (III) with phthalic anhydride (II) in accordance with the following reaction equation. ##STR2## The compound (I) and its salts absorb both UV-A and UV-B, and exhibit prominent effects as a ultraviolet absorber for cosmetic formulations such as skin cosmetic formulations and hair cosmetic formulations.

  以下通式（I）的4-甲氧基-2'-羧基二苯甲酮##STR1## 通过将对甲氧基苯乙酮（III）与邻苯二甲酸酐（II）按照下列反应方程式反应制备而成。##STR2## 该化合物（I）及其盐类可以吸收UV-A和UV-B，对于化妆品配方，如皮肤化妆品配方和头发化妆品配方，具有显著的紫外线吸收剂效果。
• Long wavelength ultraviolet ray absorber
  申请人：Kao Corporation

  公开号：EP0154928A2

  公开（公告）日：1985-09-18

  A composition for application to the skin to protect the skin from the long wavelength ultraviolet ray comprises a dibenzoylmethane derivative of the following general formula in which X represents a hydrogen atom, a monovalent metal cation, an organic cation, a linear or branched alkyl group having from 1 to 24 carbon atoms, or a polyoxyalkylene oxide having 2 or 3 carbon atoms, each Y and each Z independently represent a hydroxyl group, a linear or branched alkyl group having from 1 to 24 carbon atoms, or an alkoxy group having from 1 to 24 carbon atoms, or a polyoxyalkylene oxide group having from 2 to 3 carbon atoms, and m and n are independently an integer of from 0 to 3. The composition is adjustable so as to have an optimum HLB balance and has good compatibility with various cosmetic bases. Further, it does not irritate the skin, is difficult to be percutaneously absorbed and shows continued skin-protecting effects.

  一种应用于皮肤以保护皮肤免受长波紫外线伤害的组合物包括通式如下的二苯甲酰甲烷衍生物 其中 X 代表氢原子、一价金属阳离子、有机阳离子、具有 1 至 24 个碳原子的直 链或支链烷基或具有 2 或 3 个碳原子的聚氧化烯；每个 Y 和每个 Z 独立地代表羟基、具有 1 至 24 个碳原子的直链或支链烷基或具有 1 至 24 个碳原子的烷氧基或具有 2 至 3 个碳原子的聚氧化烯；m 和 n 独立地为 0 至 3 的整数。 该组合物可以调节，以达到最佳的 HLB 平衡，并与各种化妆品基质具有良好的兼容性。此外，它不会刺激皮肤，不易被皮下吸收，并具有持续的皮肤保护效果。
• Long wavelength UV ray absorber, process for preparing the same, and cosmetic containing the same
  申请人：KAO CORPORATION

  公开号：EP0303995A1

  公开（公告）日：1989-02-22

  A long wavelength UV ray absorber and a cosmetic comprising the same is disclosed. The long wavelength UV ray absorber comprises (a) a dibenzoylmethane derivative of the type in which the benzene ring of the dibenzoylmethane has a carboxylic acid group, a carboxylate group, or a carboxylic acid ester group, and (b) a polyvalent metal oxide. The long wavelength UV ray absorber can effectively shut out UV-A which is harmful to the skin, thus protecting it from the UV-A. It is stable against light and heat over a long period of time. Since it is sparingly soluble into water, organic solvents, oily substances, or sabum, it is hardly absorbed through the skin and hardly removed from the skin by water or sweat.

  本发明公开了一种长波长紫外线吸收剂和含有该吸收剂的化妆品。长波紫外线吸收剂包括：(a) 二苯甲酰甲烷衍生物，其中二苯甲酰甲烷的苯环具有羧酸基、羧酸基或羧酸酯基；(b) 多价金属氧化物。长波长紫外线吸收剂能有效隔绝对皮肤有害的紫外线 A，从而保护皮肤不受紫外线 A 的伤害。它对光和热具有长期的稳定性。由于它很少溶于水、有机溶剂、油性物质或沙比利，因此很难被皮肤吸收，也很难被水或汗水从皮肤上清除。