N-hydroxy-3,6-epoxy-1,2,3,6-tetrahydrophthalimide | 146985-80-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: N-hydroxy-3,6-epoxy-1,2,3,6-tetrahydrophthalimide
• 英文别名: exo-N-hydroxy-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboximide；N-Hydroxy-1,4-epoxycyclohex-5-en-2,3-dicarboximid；N-Hydroxy-3,6-epoxy-Δ⁴-cyclohexen-1,2-dicarbonsaeureimid；N-hydroxy-demethyl(dehydrogen)cantharimide；2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epioxido-isoindole-1,3-dione；N-hydroxy-7-oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboximide；2-Hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione；2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
• CAS: 146985-80-0
• 化学式: C₈H₇NO₄
• mdl: MFCD00180244
• 分子量: 181.148
• InChiKey: PPVGNPSAUJFBJY-UHFFFAOYSA-N

物化性质

• 沸点：
  384.8±52.0 °C(Predicted)
• 密度：
  1.728±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-hydroxy-3,6-epoxy-1,2,3,6-tetrahydrophthalimide 以 硝基苯 为溶剂， 反应 0.5h， 以16%的产率得到N-羟基马来酰亚胺
  参考文献：
  名称：

  Akiyama, Masayasu; Shimizu, Kazuyuki; Aiba, Seiichi, Journal of the Chemical Society. Perkin transactions I, 1980, p. 2122 - 2125

  摘要：

  DOI：
• 作为产物：
  描述：

  4,10-二氧杂三环[5.2.1.0(2,6)]癸-8-烯-3,5-二酮 以92%的产率得到
  参考文献：
  名称：

  Cheng Shiquan, Wulijimuren, Wang Peizhu, Cao Jinjiang, Li Fengying, Haxue shiji (Chem. Reagents.), 15 (1993) N 1, S 1-4

  摘要：

  DOI：

文献信息

• Method for oxidizing hydrocarbons
  申请人：——

  公开号：US20030176733A1

  公开（公告）日：2003-09-18

  The invention relates to a method for oxidizing substrates such as hydrocarbons, waxes or soot. The method involves the use of a compound of formula (I) in which: R1 and R2 represent H, an aliphatic or aromatic alkoxy radical, carboxyl radical, alkoxycarbonyl radical or hydrocarbon radical, each having 1 to 20 hydrocarbon atoms, SO3H, NH2, OH, F, Cl, Br, I and/or NO2, whereby R1 and R2 designate identical or different radicals or R1 and R2 can be linked to one another via a covalent bonding; Q1 and Q2 represent C, CH, N, CR5, each being the same or different; X and Z represent C, S, CH2, each being the same or different; Y represents O and OH; k=0, 1, 2; l=0, 1, 2; m=1 to 3, and; R5 represents one of the meanings of R1. Said compound is used as a catalyst in the presence of a radical initiator, whereby the molar ratio of the catalyst to the hydrocarbon is less than 10 mol %. Peroxy compounds or azo compounds can be used as the radical initiator. Preferred substrates are aliphatic or aromatic hydrocarbons.

  该发明涉及一种氧化底物（如烃、蜡或烟尘）的方法。该方法涉及使用式（I）的化合物，其中：R1和R2代表H、脂肪或芳香烷氧基基、羧基、烷氧羰基基或烃基，每个基有1到20个碳氢原子，SO3H、NH2、OH、F、Cl、Br、I和/或NO2，其中R1和R2表示相同或不同的基团，或者R1和R2可以通过共价键相连；Q1和Q2代表C、CH、N、CR5，每个基相同或不同；X和Z代表C、S、CH2，每个基相同或不同；Y代表O和OH；k=0、1、2；l=0、1、2；m=1到3；R5代表R1的一种含义。所述化合物作为催化剂在自由基引发剂存在下使用，其中催化剂与烃的摩尔比小于10mol％。过氧化物或偶氮化合物可用作自由基引发剂。首选底物为脂肪或芳香烃。
• Synthesis, docking studies, and pharmacological evaluation of 2‐hydroxypropyl‐4‐arylpiperazine derivatives as serotoninergic ligands
  作者：Elisa Magli、Ewa Kędzierska、Agnieszka A. Kaczor、Anna Bielenica、Beatrice Severino、Ewa Gibuła‐Tarłowska、Jolanta H. Kotlińska、Angela Corvino、Rosa Sparaco、Giovanna Esposito、Stefania Albrizio、Elisa Perissutti、Francesco Frecentese、Anna Leśniak、Magdalena Bujalska‐Zadrożny、Marta Struga、Raffaele Capasso、Vincenzo Santagada、Giuseppe Caliendo、Ferdinando Fiorino

  DOI：10.1002/ardp.202000414

  日期：2021.5

  A new series of norbornene and exo‐N‐hydroxy‐7‐oxabicyclo[2.2.1]hept‐5‐ene‐2,3‐dicarboximide derivatives was prepared, and their affinities to the 5‐HT1A, 5‐HT2A, and 5‐HT2C receptors were evaluated and compared with a previously synthesized series of derivatives characterized by the same nuclei, to identify selective ligands for the subtype receptors. Arylpiperazines represent one of the most important

  一系列新的降冰片烯和外切- ñ -羟基-7-氧杂双环〔2.2.1〕制备庚-5-烯-2,3-二羧酰亚胺衍生物，以及它们的亲和力的5-HT 1A，5-HT 2A，对 5-HT 2C受体和 5-HT 2C受体进行评估，并与之前合成的一系列以相同核为特征的衍生物进行比较，以确定亚型受体的选择性配体。芳基哌嗪是最重要的 5-HT 1A类别之一R 配体和新衍生物的研究一直集中在该药效团的一个或多个部分的修饰上。The combination of structural elements (heterocyclic nucleus, hydroxyalkyl chain, and 4‐substituted piperazine), known to be critical for the affinity to 5‐HT 1A receptors, and the proper selection of
• [EN] DEHYDROGENATION OF CYCLOHEXANONE TO PRODUCE PHENOL<br/>[FR] DÉSHYDROGÉNATION DE CYCLOHEXANONE POUR PRODUIRE DU PHÉNOL
  申请人：EXXONMOBIL CHEM PATENTS INC

  公开号：WO2011096989A1

  公开（公告）日：2011-08-11

  In a process for the dehydrogenation of cyclohexanone to produce phenol, a feed comprising cyclohexanone is contacted with a dehydrogenation catalyst under dehydrogenation conditions comprising a temperature of less than 4000C and a pressure of less than 690 kPa, gauge, such 0.1 to 50 wt% of the cyclohexanone in said feed is converted to phenol and the dehydrogenation product contains less than 100 ppm by weight of alkylbenzenes.

  在将环己酮脱氢制备酚的过程中，与脱氢催化剂接触的进料包括环己酮，在脱氢条件下，包括温度低于400摄氏度和压力低于690千帕，绝对值，使得进料中的环己酮的0.1至50重量%转化为酚，而脱氢产物中含有的烷基苯低于100 ppm重量。
• [EN] PROCESS FOR PRODUCING PHENOL AND CYCLOHEXANONE<br/>[FR] PROCÉDÉ DE PRODUCTION DE PHÉNOL ET DE CYCLOHEXANONE
  申请人：EXXONMOBIL CHEM PATENTS INC

  公开号：WO2013165659A1

  公开（公告）日：2013-11-07

  In a process for separating a mixture comprising cyclohexanone and phenol, at least a portion of the mixture is distilled in the presence of a solvent including at least two alcoholic hydroxyl groups attached to non-adjacent saturated carbon atoms and at least one hemiketal defined by the formula (I) or the formula (II): [Formula I], [Formula II] wherein R1, the same or different at each occurrence, is independently an alkylene group having from 2 to 10 carbon atoms, R2 is an alkylene group having from 4 to 10 carbon atoms, and R3 is hydrogen or the following group: [Formula III] and/or an enol-ether derived from the hemiketal defined by the formula (I) or the formula (II), wherein the total concentration of the hemiketal and the enol-ether, expressed in terms of weight percentage on the basis of the total weight of the feed to the distilling step (a), is at least 0.01%.

  在分离包含环己酮和酚的混合物的过程中，至少混合物的一部分在存在包括至少两个连接到非相邻饱和碳原子的醇羟基的溶剂中蒸馏，并且至少存在由化学式(I)或化学式(II)定义的半缩醛：[化学式I]，[化学式II]其中R1，在每次出现时相同或不同，独立地是具有2至10个碳原子的烷基基团，R2是具有4至10个碳原子的烷基基团，R3是氢或以下基团：[化学式III]和/或由由化学式(I)或化学式(II)定义的半缩醛衍生的烯醇醚，其中半缩醛和烯醇醚的总浓度，以重量百分比的形式表示，基于蒸馏步骤(a)的进料的总重量，至少为0.01%。
• [EN] PROCESS FOR SEPARATING A MIXTURE COMPRISING CYCLOHEXANONE AND PHENOL<br/>[FR] PROCÉDÉ DE SÉPARATION D'UN MÉLANGE CONTENANT DE LA CYCLOHEXANONE ET DU PHÉNOL
  申请人：EXXONMOBIL CHEM PATENTS INC

  公开号：WO2013165656A1

  公开（公告）日：2013-11-07

  In a process for separating a mixture comprising cyclohexanone and phenol, at least a portion of the mixture is distilled in the presence of a solvent including at least two alcoholic hydroxyl groups attached to non-adjacent saturated carbon atoms, water, and in the presence or absence of a hemiketal defined by the formula (I) or the formula (II): wherein R1, the same or different at each occurrence, is independently an alkylene group having from 2 to 10 carbon atoms, R2 is an alkylene group having from 4 to 10 carbon atoms and/or R3 is hydrogen or the following group: and in the presence or absence of an enol-ether derived from the hemiketal defined by the formula (I) or the formula (II), wherein the total concentration of the hemiketal and enol-ether, expressed in term of weight percentage of the total weight of the feed to the distilling step, is at most 0.01%.

  在分离包含环己酮和酚的混合物的过程中，至少部分混合物在存在溶剂的情况下蒸馏，该溶剂包括连接到非相邻饱和碳原子上的至少两个醇羟基的水，以及存在或不存在由公式(I)或公式(II)定义的半缩酮：其中R1在每次出现时相同或不同地独立地是具有2至10个碳原子的烷基基团，R2是具有4至10个碳原子的烷基基团和/或R3是氢或以下基团：在存在或不存在由公式(I)或公式(II)定义的半缩酮衍生的烯醇醚的情况下，在蒸馏步骤的进料的总重量百分比方面，半缩酮和烯醇醚的总浓度最多为0.01%。