3-亚甲基假吲哚 | 40642-83-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 3-亚甲基假吲哚
• 英文名称: 3-Methylene-3H-indole
• 英文别名: 3-methyleneindolenine；3-methylideneindole
• CAS: 40642-83-9
• 化学式: C₉H₇N
• 分子量: 129.161
• InChiKey: BCNUXXXHEIUHJB-UHFFFAOYSA-N

物化性质

• 沸点：
  260.8±33.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)
• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  芦竹碱 生成 3-亚甲基假吲哚
  参考文献：
  名称：

  1-and 2-azafulvenes

  摘要：

  Flash pyrolysis of dialkylaminopyrroles and thermolysis of 2-pyrrylmethyl phenyl sulfoxide at 65-degrees-C in solution gave azafulvenes which were trapped with a variety of nucleophiles.

  DOI：

  10.1016/s0040-4039(00)77524-1

文献信息

• POLYMERIZABLE COMPOUND AND OPTICAL ISOMER
  申请人：DIC Corporation

  公开号：US20180022716A1

  公开（公告）日：2018-01-25

  The present invention provides a polymerizable compound having high storage stability without causing crystal precipitation when added to a polymerizable composition. The present invention also provides a polymerizable composition containing the compound. When the filmy polymer produced through polymerization of the polymerizable composition is irradiated with UV light, it hardly discolors or peels from substrate. Further, the present invention provides a polymer produced through polymerization of the polymerizable composition and an optically anisotropic body using the polymer.

  本发明提供了一种聚合物化合物，具有高储存稳定性，添加到聚合物化合物时不会导致结晶沉淀。本发明还提供了含有该化合物的聚合物化合物。当通过聚合物化合物的聚合产生薄膜状聚合物时，若用紫外光照射，它几乎不会变色或脱落。此外，本发明提供了通过聚合物化合物的聚合产生的聚合物，以及使用该聚合物的光学各向异性体。
• [EN] POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY<br/>[FR] COMPOSÉ POLYMÉRISABLE ET CORPS OPTIQUEMENT ANISOTROPE
  申请人：DAINIPPON INK & CHEMICALS

  公开号：WO2017079867A1

  公开（公告）日：2017-05-18

  There is provided a polymerizable composition, by which discoloration or alignment defects are less likely to occur when a filmy polymer, which is obtained by adding a polymerizable compound to the polymerizable composition and polymerizing this composition, is irradiated with ultraviolet light. There are also provided a polymer obtained by polymerizing the polymerizable composition, and an optically anisotropic body using the polymer. The present invention provides a polymerizable low-wavelength dispersive or polymerizable reverse-wavelength dispersive compound having a partial structure represented by Formula (Z-0). Further, the present invention provides a composition containing the compound; a polymer obtained by polymerizing the composition; and an optically anisotropic body obtained by using the polymer.

  提供一种可聚合的组合物，通过该组合物得到的薄膜聚合物在紫外光照射时，不太容易发生变色或排列缺陷。还提供了通过聚合该聚合物组合物得到的聚合物，以及使用该聚合物的光学各向异性体。本发明提供了一种具有由式（Z-0）表示的部分结构的可聚合低波长色散或可聚合反波长色散化合物。此外，本发明提供了一种含有该化合物的组合物；通过聚合该组合物得到的聚合物；以及通过使用该聚合物得到的光学各向异性体。
• Mechanistic Studies on the Cytochrome P450-Catalyzed Dehydrogenation of 3-Methylindole
  作者：Gary L. Skiles、Garold S. Yost

  DOI：10.1021/tx9501187

  日期：1996.1.1

  formation from 3-methylindole (3MI) in goat lung microsomes was examined using stable isotope techniques. 3MEI is highly electrophilic, and its production is a principal factor in the systemic pneumotoxicity of 3MI. Noncompetitive intermolecular isotope effects of DV = 3.3 and D(V/K) = 1.1 obtained after deuterium substitution at the 3-methyl position indicated either that hydrogen abstraction from the methyl

  使用稳定同位素技术研究了由3-甲基吲哚（3MI）在山羊肺微粒体中形成3-亚甲基吲哚啉（3MEI）的机制。3MEI具有高度亲电性，其产生是3MI全身肺毒性的主要因素。在3-甲基位置进行氘取代后获得的DV = 3.3和D（V / K）= 1.1的非竞争性分子间同位素效应表明，从甲基中夺氢不是初始的限速步骤，或者该步骤是速率限制-限制，并且被催化的高正向承诺和低反向承诺所掩盖。5.5的分子内同位素效应表明，氢原子的提取可能是3MI生物活化的初始氧化和限速步骤，或者是铝阳离子自由基的去质子化，吲哚氮的单电子氧化产生的产物是限速的。但是，在细胞色素P450酶中除血红素铁以外的部位，对特殊碱基催化的特殊要求可能会排除需要使铵阳离子自由基去质子化的机理。从18O2和H（2）18O将18O掺入吲哚-3-甲醇中的模式表明，通过3MEI的水合作用，在山羊肺微粒体中形成了大约80％的吲哚-3-甲醇。然而，吲哚-
• Novel enzymes and metabolites involved in skatole metabolism
  申请人：University of Guelph

  公开号：US20020197663A1

  公开（公告）日：2002-12-26

  Novel metabolites and enzymes involved in skatole metabolism are disclosed. The novel metabolites are 3-OH-3-methylindolenine (HMI); 3-methyloxindole (3MOI); indole-3-carbinol (I-3C); and 2-aminoacetophenone (2-AM). Measuring levels of these metabolites in a pig may be useful in identifying the pig's ability to metabolize skatole and its susceptibility to boar taint. The novel enzymes involved in skatole metabolism are aldehyde oxidase and CYP2A6. Enhancing the activity of these enzymes may be useful in enhancing skatole metabolism and reducing boar taint. The identification of the enzyme also allows the development of screening assays for substances that interact with these enzymes and skatole metabolism. Pigs having high levels of these enzymes may be selected and bred to produce pigs that have a lower incidence of boar taint.

  本发明揭示了参与indole代谢的新代谢产物和酶。新代谢产物包括3-OH-3-methylindolenine（HMI）；3-methyloxindole（3MOI）；indole-3-carbinol（I-3C）和2-AMinoacetophenone（2-AM）。测量猪体内这些代谢产物的水平可能有助于确定猪体内代谢indole的能力以及其对睾丸气味的敏感性。参与indole代谢的新酶包括醛氧化酶和CYP2A6。增强这些酶的活性可能有助于增强indole代谢并减少睾丸气味。酶的鉴定还允许开发筛选与这些酶和indole代谢相互作用的物质的筛选试验。选择具有高水平这些酶的猪进行繁殖，可以生产出具有较低睾丸气味发生率的猪。
• Genetic markers for skatole metabolism
  申请人：Squires James E.

  公开号：US20070031837A1

  公开（公告）日：2007-02-08

  Novel metabolites and enzymes involved in skatole metabolism are disclosed. The novel metabolites are 3-OH-3-methylindolenine (HMI); 3-methyloxindole (3MOI); indole-3-carbinol (I-3C); and 2-aminoacetophenone (2-AM). Measuring levels of these metabolites in a pig may be useful in identifying the pig's ability to metabolize skatole and its susceptibility to boar taint. The novel enzymes involved in skatole metabolism are aldehyde oxidase and CYP2A6. Enhancing the activity of these enzymes may be useful in enhancing skatole metabolism and reducing boar taint. The identification of the enzyme also allows the development of screening assays for substances that interact with these enzymes and skatole metabolism or for genetic screening to identify pigs on the basis of their skatole metabolism. Pigs having high levels of these enzymes may be selected and bred to produce pigs that have a lower incidence of boar taint.

  本发明披露了参与猪笨味代谢的新代谢产物和酶。这些新代谢产物是3-OH-3-甲基吲哚啉（HMI）；3-甲氧基吲哚（3MOI）；吲哚-3-甲醇（I-3C）；和2-氨基苯乙酮（2-AM）。测量猪体内这些代谢产物的水平可能有助于确定猪对笨味的代谢能力以及其易感性。参与笨味代谢的新酶是醛氧化酶和CYP2A6。增强这些酶的活性可能有助于增强笨味代谢并减少猪笨味。酶的鉴定还允许开发筛选与这些酶和笨味代谢相互作用的物质或进行基因筛选以确定猪的笨味代谢能力的检测方法。具有高水平这些酶的猪可以被选择和繁殖，以生产出更少发生猪笨味的猪。