1-(4-氯苯氧基)-2-丙酮 | 18859-35-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-(4-氯苯氧基)-2-丙酮
• 英文名称: 4-chlorophenoxyacetone
• 英文别名: p-Chlor-phenoxyaceton；1-(4-chlorophenoxy)-propan-2-one；1-(4-Chlorophenoxy)acetone；1-(4-chlorophenoxy)propan-2-one
• CAS: 18859-35-3
• 化学式: C₉H₉ClO₂
• mdl: MFCD06659690
• 分子量: 184.622
• InChiKey: DFBZHQBJMFLYJF-UHFFFAOYSA-N

物化性质

• 沸点：
  147-148 °C(Press: 17 Torr)
• 密度：
  1.187±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2914700090

反应信息

• 作为反应物：
  描述：

  1-(4-氯苯氧基)-2-丙酮 在 甲醇 、 sodium tetrahydroborate 作用下， 反应 1.0h， 生成 1-(4-chloro-phenoxy)-propan-2-ol
  参考文献：
  名称：

  选择性交叉脱氢C（sp3）-H与芳烃的芳基化。

  摘要：

  选择性的C（sp3）-C（sp2）键结构是化学合成中的主要关注点。尽管经典的交叉偶联反应成功，但惰性C（sp3）-H和C（sp2）-H键之间的交叉脱氢偶联代表了对新C（sp3）-C（sp2）键的有吸引力的替代选择。在本文中，我们建立了醇与非定向芳烃的选择性分子间和分子内C（sp3）-H芳基化反应，从而提供了访问广泛的β-芳基化醇的一般途径，包括四氢萘-2-醇和苯并吡喃-3-具有高至优异的化学和区域选择性的醇。

  DOI：

  10.1021/acs.orglett.0c00588
• 作为产物：
  描述：

  4-氯-烯丙氧基 在 5C₂₄H₅₂N⁽¹⁺⁾*PV₂Mo₁₀O₄₀^(5-) 、 palladium dichloride 作用下， 以 氘代乙腈 、 重水 为溶剂， 生成 1-(4-氯苯氧基)-2-丙酮
  参考文献：
  名称：

  钯-多金属氧酸盐杂化催化剂选择性地将烯丙基苯基醚好氧氧化为甲基酮

  摘要：

  在这项研究中，我们报告了通过Pd催化剂/多金属氧酸盐杂化体系可实现烯丙基苯醚的选择性好氧氧化，从而在富水乙腈中产生相应的甲基酮。与常规的PdCl 2 / CuCl 2系统相比，Pd（OAc）2 / H 5 PV 2 Mo 10 O 40体系表现出更高的转化率和烯丙基苯基醚的Wacker型氧化产生相应的甲基酮。较高的产率归因于H 5 PV 2 Mo 10 O 40将Pd 0有效地再氧化为Pd 2+如电化学测量所证明的，使用O 2作为氧化剂。紫外可见光谱测量表明，在催化氧化过程中，Pd 0减少了H 5 PV 2 Mo 10 O 40的种类。与带有[PV 2 Mo 10 O 40 ] 5-的四烷基铵抗衡阳离子结合使用PdCl 2代替Pd（OAc）2在烯丙基苯基醚的Wacker型氧化中也显示了相当的转化率和产物收率。帕拉取代的烯丙基苯基醚衍生物在Pd催化剂/多金属氧酸盐体系中成功氧化，得到相应的甲

  DOI：

  10.1016/j.mcat.2020.111178

文献信息

• [EN] CHEMCICAL COMPOUNDS<br/>[FR] COMPOSÉS CHIMIQUES
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2017212423A1

  公开（公告）日：2017-12-14

  The invention is directed to substituted pyrrolidine derivatives. Specifically, the invention is directed to compounds according to Formula III: wherein A, B, L1, L2, L3, R1, R2, R3, R4, R5, R6, R9, R10, R30, Y1, Y2, z2, z4, z5, and z6 are as defined herein, and salts thereof. The compounds of the invention are inhibitors of the ATF4 pathway and can be useful in the treatment of cancer, pre-cancerous syndromes and diseases associated with activated unfolded protein response pathways, such as Alzheimer's disease, spinal cord injury, traumatic brain injury, ischemic stroke, stroke, diabetes, Parkinson disease, Huntington's disease, Creutzfeldt-Jakob Disease, and related prion diseases, progressive supranuclear palsy, amyotrophic lateral sclerosis, myocardial infarction, cardiovascular disease, inflammation, fibrosis, chronic and acute diseases of the liver, chronic and acute diseases of the lung, chronic and acute diseases of the kidney, chronic traumatic encephalopathy (CTE), neurodegeneration, dementia, cognitive impairment, atherosclerosis, ocular diseases, arrhythmias, in organ transplantation and in the transportation of organs for transplantation. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting the ATF4 pathway and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  该发明涉及取代吡咯烷衍生物。具体而言，该发明涉及符合以下式III的化合物：其中A、B、L1、L2、L3、R1、R2、R3、R4、R5、R6、R9、R10、R30、Y1、Y2、z2、z4、z5和z6如本文所定义，并其盐。该发明的化合物是ATF4途径的抑制剂，可用于治疗癌症、癌前综合征以及与激活的未折叠蛋白应答途径相关的疾病，如阿尔茨海默病、脊髓损伤、创伤性脑损伤、缺血性中风、中风、糖尿病、帕金森病、亨廷顿病、克雅氏病、相关朊蛋白病、进行性核上性麻痹、肌萎缩侧索硬化、心肌梗死、心血管疾病、炎症、纤维化、肝脏慢性和急性疾病、肺部慢性和急性疾病、肾脏慢性和急性疾病、慢性创伤性脑病（CTE）、神经退行性疾病、痴呆、认知障碍、动脉粥样硬化、眼部疾病、心律失常、器官移植以及器官移植用途。因此，该发明进一步涉及包含该发明化合物的药物组合物。该发明还进一步涉及使用该发明化合物或包含该发明化合物的药物组合物抑制ATF4途径和治疗相关疾病的方法。
• [EN] COMPOUND, COMPOSITION AND USES THEREOF<br/>[FR] COMPOSÉ, COMPOSITION ET LEURS UTILISATIONS
  申请人：RAO M SURYA

  公开号：WO2017037566A1

  公开（公告）日：2017-03-09

  The disclosures herein provide compounds of formula I, formula II, formula III, formula IV, formula V, formula VI and formula VII or its pharmaceutical acceptable compositions and salts, as well as polymorphs, enantiomers, stereoisomers, solvates, and hydrates thereof. These compositions or salts may be formulated as pharmaceutical compositions. The pharmaceutical compositions may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of stomach and esophageal problems or its associated complications.

  本公开提供的化合物包括式I、式II、式III、式IV、式V、式VI和式VII或其药用可接受的组合物和盐，以及其多晶型、对映体、立体异构体、溶剂合物和水合物。这些组合物或盐可以制成药物组合物。药物组合物可以制成口服、颊内、直肠、局部、经皮、经粘膜、静脉、肠道、糖浆或注射用药物组合物。这些组合物可用于治疗胃和食道问题或其相关并发症。
• [EN] CHEMICAL COMPOUNDS AS ATF4 PATHWAY INHIBITORS<br/>[FR] COMPOSÉS CHIMIQUES UTILISÉS COMME INHIBITEURS DE LA VOIE ATF4
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2017212425A1

  公开（公告）日：2017-12-14

  The invention is directed to substituted piperidine derivatives. Specifically, the invention is directed to compounds according to Formula IIII: wherein A, B, X, Y, L1, L2, L3, R1, R2, R3, R4, R5, R6, R9, z2, z4, z5, and z6 are as defined herein, and salts thereof. The compounds of the invention are inhibitors of the ATF4 pathway and can be useful in the treatment of cancer, pre-cancerous syndromes and diseases associated with activated unfolded protein response pathways, such as Alzheimer's disease, spinal cord injury, traumatic brain injury, ischemic stroke, stroke, diabetes, Parkinson disease, Huntington's disease, Creutzfeldt-Jakob Disease, and related prion diseases, progressive supranuclear palsy, amyotrophic lateral sclerosis, myocardial infarction, cardiovascular disease, inflammation, fibrosis, chronic and acute diseases of the liver, chronic and acute diseases of the lung, chronic and acute diseases of the kidney, chronic traumatic encephalopathy (CTE), neurodegeneration, dementia, cognitive impairment, atherosclerosis, ocular diseases, arrhythmias, in organ transplantation and in the transportation of organs for transplantation. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting the ATF4 pathway and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  该发明涉及替代哌啶衍生物。具体而言，该发明涉及符合以下式III的化合物：其中A、B、X、Y、L1、L2、L3、R1、R2、R3、R4、R5、R6、R9、z2、z4、z5和z6如本文所定义，并其盐。该发明的化合物是ATF4途径的抑制剂，可用于治疗癌症、癌前综合征以及与激活的未折叠蛋白应答途径相关的疾病，如阿尔茨海默病、脊髓损伤、创伤性脑损伤、缺血性中风、中风、糖尿病、帕金森病、亨廷顿病、克雅氏病及相关朊蛋白病、进行性核上性麻痹、肌萎缩侧索硬化、心肌梗死、心血管疾病、炎症、纤维化、肝脏慢性和急性疾病、肺部慢性和急性疾病、肾脏慢性和急性疾病、慢性创伤性脑病（CTE）、神经退行性疾病、痴呆、认知障碍、动脉粥样硬化、眼部疾病、心律失常、器官移植以及器官移植运输。因此，该发明进一步涉及包含该发明化合物的药物组合物。该发明还进一步涉及使用该发明化合物或包含该发明化合物的药物组合物抑制ATF4途径和治疗相关疾病的方法。
• Oxidation of olefins by palladium(II). 18. Effect of reaction conditions, substrate structure and chiral ligand on the bimetallic palladium(II) catalyzed asymmetric chlorohydrin synthesis
  作者：Arab K El-Qisairi、Hanan A Qaseer、Patrick M Henry

  DOI：10.1016/s0022-328x(02)01580-2

  日期：2002.8

  The effect of electronic factors, solvent composition, identity of the chiral bidentate, and olefin structure on the yields and enantioselectivities of the asymmetric chlorohydrin synthesis were investigated. Electronic effects on the chlorohydrin reaction were tested by oxidation of phenyl allyl ether p-substituted by H, Cl, CH3O and CN. All species gave same similar yields and enantioselectivities

  研究了电子因素，溶剂组成，手性双齿的身份以及烯烃结构对不对称氯醇合成的收率和对映选择性的影响。通过H，Cl，CH 3 O和CN对-取代的苯基烯丙基醚的氧化，测试了对氯代醇反应的电子效应。所有物种都具有相同的相似产率和对映选择性，表明电子效应并不重要。改变THF-H 2 O混合物的溶剂组成表明，最佳溶剂混合物包含超过85％的THF。加入变异氯[Cl -]表明，为了获得高产率和％ee，添加的氯化物必须大于0.2M。在理想条件下，来自苯基烯丙基醚的氯醇的对映选择性大于90％ee。乙烯基乙酸，丙烯酸甲酯和反式-肉桂醛在通常的反应条件下不反应，而2-羟基-3-丁烯和乙酸烯丙酯的ee's低于苯基烯丙基醚。苯乙烯和α-甲基苯乙烯的反应速率相当，但后者的ee较低。（2，6-二异丙基）苯基烯丙基醚和2-羟基-3-丁烯给出高的ee，表明空间位阻不是主要因素。除DACH外，所有测试的手性桥联配体均给出令人满意的
• Linear Free Energy Correlation Analysis on the Electronic Effects of Rh(II) Carbene O−H Insertion
  作者：Zhaohui Qu、Weifeng Shi、Jianbo Wang

  DOI：10.1021/jo0350312

  日期：2004.1.1

  The relative rate constants for the Rh(II)-catalyzed insertion of diazoacetone into the O−H bond have been measured through intermolecular competitions. The kinetic data were subjected to Hammett correlation analysis, and mechanistic implication of the results with respect to a stepwise vs a concerted O−H insertion pathway is discussed.

  通过分子间竞争测量了Rh（II）催化重氮丙酮插入OH键的相对速率常数。对动力学数据进行Hammett相关分析，并讨论了相对于逐步一致的OH插入途径而言，结果的机理含义。