3-hydroxy-3-(2-chlorophenyl)-1-phenylpropane-1-one | 167780-11-2

• 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: 3-hydroxy-3-(2-chlorophenyl)-1-phenylpropane-1-one
• 英文别名: 3-(2-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one；3-(o-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one；3-(2-chloro-phenyl)-3-hydroxy-1-phenyl-propan-1-one；3-(2-Chlor-phenyl)-3-hydroxy-1-phenyl-propan-1-on；1-Propanone, 3-(2-chlorophenyl)-3-hydroxy-1-phenyl-
• CAS: 167780-11-2
• 化学式: C₁₅H₁₃ClO₂
• 分子量: 260.72
• InChiKey: FZCPBMVTKLYUCI-UHFFFAOYSA-N

物化性质

• 熔点：
  80 °C
• 沸点：
  431.0±40.0 °C(Predicted)
• 密度：
  1.251±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-hydroxy-3-(2-chlorophenyl)-1-phenylpropane-1-one 生成 2-氯苯甲醛 、 苯乙酮
  参考文献：
  名称：

  The Properties of Certain Beta Oxanols

  摘要：

  DOI：

  10.1021/ja01309a043
• 作为产物：
  描述：

  3-(2-chlorophenyl)-1-phenylpropenone 在 双氧水 、 苯甲醛 、 邻苯二胺 作用下， 以 四氢呋喃 为溶剂， 反应 24.17h， 生成 3-hydroxy-3-(2-chlorophenyl)-1-phenylpropane-1-one
  参考文献：
  名称：

  Study on comparison of reducing ability of three organic hydride compounds

  摘要：

  Selective reduction of three kinds of substrates were studied to evaluate the reducing abilities of N,N-dimethyl-benzimidazolidine (DMBI), 2-phenylbenzimidazoline (PBI) and 2-phenylbenzothiazoline (PBT). As hydride donors, these three five-membered heterocyclic compounds performed different reducing abilities depending on the substrates. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.04.047

文献信息

• Alkaline earth metal-based metal–organic framework: hydrothermal synthesis, X-ray structure and heterogeneously catalyzed Claisen–Schmidt reaction
  作者：Debraj Saha、Tanmoy Maity、Subratanath Koner

  DOI：10.1039/c4dt00575a

  日期：——

  removal of the coordinated water, has been characterized by thermo-gravimetric analysis, IR, elemental analysis and variable temperature powder X-ray diffraction. Both 1 and its dehydrated species 1a catalyze the Claisen–Schmidt reaction under heterogeneous conditions, but 1a is a more effective catalyst under environmentally friendly conditions. The catalyst can readily be recovered and reused in successive

  两个碱土金属基羧酸盐体系[Mg（HL）（H 2 O）2 ] n（1）和[Ca（H 2 L）2 ] n（2）（H 3 L = Chelidamic acid）进行了水热反应合成，并通过单晶X射线衍射，IR，元素分析和热重分析进行表征。化合物1具有包含两个水分子的2D结构。从1产生的脱水物质1a通过除去配位水，已通过热重分析，红外，元素分析和变温粉末X射线衍射进行了表征。既1和其脱水物种1A催化异构条件下的克莱森-施密特反应，但图1A是环境友好的条件下更有效的催化剂。催化剂可以容易地回收并在连续的循环中重复使用而没有可检测的活性损失。化合物2具有3D结构，在高达540°C的温度下具有热稳定性，但具有催化活性。
• A magnesium-based multifunctional metal–organic framework: synthesis, thermally induced structural variation, selective gas adsorption, photoluminescence and heterogeneous catalytic study
  作者：Debraj Saha、Tanmoy Maity、Soma Das、Subratanath Koner

  DOI：10.1039/c3dt51509e

  日期：——

  layered alkaline earth metal–organic framework (MOF) compound, [Mg2(HL)2(H2O)4]·H2O}n (1) (H3L = pyrazole-3,5-dicarboxylate). Compound 1 selectively adsorbs hydrogen (H2) (ca. 0.56 wt% at 77 K) over nitrogen at 1 atm and demonstrates a strong blue fluorescent emission band at 480 nm (λmax) upon excitation at 270 nm. Notably, the 2D framework compound efficiently catalyzes the aldol condensation reactions

  通过依赖温度的合成制备了三种基于镁的羧酸盐骨架体系。通过水热法合成化合物，并通过单晶X射线衍射分析表征。介质温度的逐步升高导致网络尺寸的逐步升高，最终导致形成新的二维二维层状碱土金属-有机骨架（MOF）化合物[Mg 2（HL）2（ H 2 O）4 ]·H 2 O} n（1）（H 3 L =吡唑-3,5-二羧酸酯）。化合物1选择性吸附氢（H 2）（ca。在1个大气压77 K）在氮0.56％（重量）和在480nm处（演示了强的蓝色荧光发射带λ最大在270nm处）激发时。值得注意的是，在环境友好的条件下，二维骨架化合物可有效催化异质介质中各种芳香醛与酮的醛醇缩合反应。催化剂可以循环使用几次，而活性没有任何重大损失。
• Chemoselectivity in the Reaction of 2-Diazo-3-oxo-3-phenylpropanal with Aldehydes and Ketones
  作者：Jiantao Zhang、Jiaxi Xu

  DOI：10.1002/hlca.201200532

  日期：2013.9

  2‐diazo‐3‐oxo‐3‐phenylpropanal (1) with aldehydes and ketones in the presence of Et3N was investigated. The results indicate that 1 reacts with aromatic aldehydes with weak electron‐donating substituents and cyclic ketones under formation of 6‐phenyl‐4H‐1,3‐dioxin‐4‐one derivatives. However, it reacts with aromatic aldehydes with electron‐withdrawing substituents to yield 1,3‐diaryl‐3‐hydroxypropan‐1‐ones, accompanied

  研究了在Et 3 N存在下2-重氮-3-氧代-3-苯基丙醛（1）与醛和酮反应的化学选择性。结果表明1与6-苯基-4 H形成时具有弱供电子取代基和环状酮的芳香醛发生反应-1,3-二恶英-4-一衍生物。但是，它与带有吸电子取代基的芳族醛反应生成1,3-二芳基-3-羟基丙烷-1-酮，在某些情况下还伴随着查尔酮衍生物。它不与具有强供电子取代基的线性酮，脂族醛和芳族醛发生反应。提出了形成1,3-二芳基-3-羟基丙-1-酮和查尔酮衍生物的机理。我们还尝试使1与其他不饱和化合物（包括各种烯烃和腈）以及累积的不饱和化合物（如N，N'-二烷基碳二亚胺，苯基异氰酸酯，异硫氰酸酯和CS 2）反应1。仅在N，N'-二烷基碳二亚胺，预期的环加成反应发生了。
• Magnetic Nano-Fe₃O₄-Supported 1-Benzyl-1,4-dihydronicotinamide (BNAH): Synthesis and Application in the Catalytic Reduction of α,β-Epoxy Ketones
  作者：Hua-Jian Xu、Xin Wan、Yong-Ya Shen、Song Xu、Yi-Si Feng

  DOI：10.1021/ol203423u

  日期：2012.3.2

  A novel magnetically recoverable organic hydride compound was successfully constructed by using silica-coated magnetic nanoparticles as a support. An as-prepared magnetic organic hydride compound, BNAH (1-benzyl-1,4-dihydronicotinamide), showed efficient activity in the catalytic reduction of α,β-epoxy ketones. After reaction, the magnetic nanoparticle-supported BNAH can be separated by simple magnetic

  以二氧化硅包覆的磁性纳米粒子为载体，成功构建了新型的磁性可回收有机氢化物。制备的磁性有机氢化物化合物BNAH（1-苄基-1,4-二氢烟酰胺）在催化还原α，β-环氧酮中显示出有效的活性。反应后，可以通过简单的磁性分离来分离磁性纳米粒子负载的BNAH，这使得产物的分离更容易。
• PAA-supported Hantzsch 1,4-dihydropyridine ester: an efficient catalyst for the hydrogenation of α,β-epoxy ketones
  作者：Xin-Feng Zhou、Peng-Fei Wang、Ye Geng、Hua-Jian Xu

  DOI：10.1016/j.tetlet.2013.07.112

  日期：2013.9

  A new type of water-soluble polymer-supported NADH co-enzyme model-FAA (polyacrylic acid)-supported Hantzsch 1,4-dihydropyridine ester (PM-HEH) was designed and synthesized. Catalytic amount of the supported reagent was used in the hydrogenation of alpha,beta-epoxy ketones to the corresponding beta-hydroxy ketones and showed great catalytic efficiency in the reduction reaction. This PAA-HEH was an optimal potential for recycling use. (C) 2013 Elsevier Ltd. All rights reserved.