1-乙酰基吲哚-2-甲酸 | 10441-26-6

• 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: 1-乙酰基吲哚-2-甲酸
• 英文名称: N-acetyl-indole-2-carboxylic acid
• 英文别名: 1-acetyl-indole-2-carboxylic acid；1-Acetyl-indol-2-carbonsaeure；1-acetylindole-2-carboxylic acid
• CAS: 10441-26-6
• 化学式: C₁₁H₉NO₃
• 分子量: 203.197
• InChiKey: KXHBYSRUWPZBMF-UHFFFAOYSA-N

物化性质

• 沸点：
  400.4±18.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  59.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  29339990

反应信息

• 作为反应物：
  描述：

  1-乙酰基吲哚-2-甲酸 在 钯 盐酸 、 氢气 作用下， 生成 吲哚啉-2-羧酸
  参考文献：
  名称：

  [EN] PROCESS FOR THE PREPARATION OF PERINDOPRIL
  [FR] PROCEDE ET PRODUIT

  摘要：

  公开号：

  WO2004099138A3
• 作为产物：
  描述：

  吲哚-2-羧酸 在 4-二甲氨基吡啶 、 乙酸酐 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 1-乙酰基吲哚-2-甲酸
  参考文献：
  名称：

  Heterocyclic substituted 2-acylamino-5-thiazoles, their preparation and

  摘要：

  公式为：##STR1##其中R.sub.1为H，烷基或取代烷基；R.sub.IV为环烷基，芳香基如苯基或取代的杂环基；R.sub.V为取代烷基，取代羧基如酯或酰胺；或者R.sub.IV和R.sub.V一起代表可能在苯基上取代的苯氧烷基；Z为杂环基如吲哚基；或化合物(I)的盐。

  公开号：

  US05314889A1

文献信息

• Angiotensin converting enzyme inhibitors: N-Substituted monocyclic and bicyclic amino acid derivatives
  作者：James L. Stanton、Norbert Gruenfeld、Joseph E. Babiarz、Michael H. Ackerman、Robert C. Friedmann、Andrew M. Yuan、William Macchia

  DOI：10.1021/jm00363a011

  日期：1983.9

  (14a-x),- N-arylalanines (15a,b),-N-cycloalkylglycines (16a-k), and -1,2,3,4-tetrahydroisoquinoline-3-carboxylic acids (17a-d), -1,2,3,4-tetrahydroquinoline-2-carboxylic acids (18a-f), and -indoline-2-carboxylic acids (19a-k) is described. In vitro inhibition of angiotensin converting enzyme (ACE) is reported for each compound, and the structure--activity relationship for each series is discussed. The

  N-（3-巯基丙酰基）-N-芳基甘氨酸（14a-x），-N-芳基丙氨酸（15a，b），-N-环烷基甘氨酸（16a-k）和-1,2,3,4-的合成描述了四氢异喹啉-3-羧酸（17a-d），-1,2,3,4-四氢喹啉-2-羧酸（18a-f）和-二氢吲哚-2-羧酸（19a-k）。报道了每种化合物对血管紧张素转化酶（ACE）的体外抑制作用，并讨论了每个系列的结构-活性关系。讨论了ACE的体内抑制作用和各系列代表性化合物的降压作用。最有效的化合物19d的体外ACE IC50为2.6 X 10（-9）M，并且以10 mg / kg po的剂量在85 mm的自发性高血压大鼠中降低了血压。
• Asymmetric hydrogenation of 2-substituted N-protected-indoles catalyzed by rhodium complexes of BINOL-derived phosphoramidites
  作者：Nataša Mršić、Thomas Jerphagnon、Adriaan J. Minnaard、Ben L. Feringa、Johannes G. de Vries

  DOI：10.1016/j.tetasy.2009.11.017

  日期：2010.1

  The rhodium-catalyzed asymmetric hydrogenation of 2-substituted N-protected-indoles using monodentate phosphoramidites as ligands was examined. Full conversion and 74% ee, were obtained with a catalyst based on PipPhos. The use of a catalytic amount of base is necessary for activity; best results were obtained with Cs2CO3.

  研究了使用单齿亚磷酰胺作为配体的铑催化的2-取代的N-保护的吲哚的不对称氢化。用基于PipPhos的催化剂获得完全转化和74％ee。为了活性，必须使用催化量的碱。Cs 2 CO 3可获得最佳结果。
• Polysubstituted 2-amino-thiazole derivatives
  申请人：SANOFI

  公开号：US05656648A1

  公开（公告）日：1997-08-12

  The invention relates to the use of a compound of formula: ##STR1## in which Y represents a 3-quinolyl group or a 2-indolyl group of formula: ##STR2## in which: X is chosen from 4-chloro-2,6-dimethoxyphenyl, 2,6-dimethoxy-4-methylphenyl, 2,4,5-trimethoxyphenyl, 4-methyl-2,3,6-trimethoxyphenyl, 2,6-dimethoxy-4-ethylphenyl, 2,4,6-trimethoxy-5-chlorophenyl, 2,4,6-trimethoxy-3-pyridyl, 2,4-dimethoxy-6-methyl-3-pyridyl, 6-chloro-2,4-dimethoxy-5-pyrimidinyl, 2,4,6-trimethoxy-5-pyrimidinyl, 5-chloro-2,4-dimethoxyphenyl, 5-chloro-2-methoxy-4-methylphenyl, 2,5-dimethoxy-4-methylphenyl, 4-trifluoromethyl-2,6-dimethoxyphenyl, 2,4-dimethoxy-5-methylphenyl, 5-ethyl-2,4-dimethoxyphenyl and 2,4-dimethoxyphenyl groups; Z represents H, a C.sub.1 -C.sub.4 -alkyl or a benzyl; for combating complaints whose treatment necessitates a stimulation of the cholecystokinin receptors by a total or partial agonist effect.

  该发明涉及使用以下公式的化合物：##STR1##其中Y代表公式的3-喹啉基团或2-吲哚基团：##STR2##其中：X选择自4-氯-2,6-二甲氧基苯基，2,6-二甲氧基-4-甲基苯基，2,4,5-三甲氧基苯基，4-甲基-2,3,6-三甲氧基苯基，2,6-二甲氧基-4-乙基苯基，2,4,6-三甲氧基-5-氯苯基，2,4,6-三甲氧基-3-吡啶基，2,4-二甲氧基-6-甲基-3-吡啶基，6-氯-2,4-二甲氧基-5-嘧啶基，2,4,6-三甲氧基-5-嘧啶基，5-氯-2,4-二甲氧基苯基，5-氯-2-甲氧基-4-甲基苯基，2,5-二甲氧基-4-甲基苯基，4-三氟甲基-2,6-二甲氧基苯基，2,4-二甲氧基-5-甲基苯基，5-乙基-2,4-二甲氧基苯基和2,4-二甲氧基苯基基团；Z代表H，C.sub.1-C.sub.4烷基或苄基；用于对抗需要通过全或部分激动胆囊收缩素受体的药理作用来治疗的不适症状。
• PESTICIDAL COMPOSITION COMPRISING INDOLE DERIVATES
  申请人：Bednarek Pawel

  公开号：US20090028796A1

  公开（公告）日：2009-01-29

  The present invention is directed to pesticidal compositions comprising indole derivatives. These indole derivatives are especially active against phytopathogenic fungi. Furthermore, the invention relates to the use of indole derivatives for the production of pesticides and the use of the compositions according to the invention as pesticides. The present invention is also directed to a process for producing a pesticidal composition and to pesticidal compositions prepared by this process. In addition, the invention relates to a process for preventing or combating pests and to a process for protecting plants against pests, especially against phytopathogenic fungi. Further, the invention is directed to plants or seeds as well as objects or materials which have been protected against pests by treatment with a composition according to the invention. Further, the invention is directed to a method for identifying a substance having pesticidal activity. Further, the invention is directed to a method of identifying the mode of action of and/or of providing binding proteins for a pesticidal compound of the present invention. Finally, the invention is directed to a method for diagnosing pest infection of a plant and to the use of a pesticidal compound of the present invention as diagnostic markers.

  本发明涉及包含吲哚衍生物的杀虫组合物。这些吲哚衍生物特别对植物病原真菌具有活性。此外，本发明涉及使用吲哚衍生物制备杀虫剂以及使用本发明中的组合物作为杀虫剂。本发明还涉及制备杀虫组合物的过程以及通过该过程制备的杀虫组合物。此外，本发明还涉及预防或对抗害虫的过程以及保护植物免受害虫，特别是植物病原真菌的过程。此外，本发明还涉及经过本发明中的组合物处理后受到保护的植物或种子以及物体或材料。本发明还涉及识别具有杀虫活性的物质的方法。此外，本发明还涉及识别本发明中杀虫化合物的作用方式和/或提供结合蛋白的方法。最后，本发明涉及诊断植物害虫感染的方法以及使用本发明中的杀虫化合物作为诊断标记的方法。
• Tandem decarboxylation/fluorination of N-acetylanthranilic acids by iridium complexes
  作者：Tomohiko Shirai、Tomokazu Yamasaki

  DOI：10.1016/j.jfluchem.2024.110260

  日期：2024.2

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