N-(5-氯-2-甲氧基苯基)乙酰胺 | 7463-32-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(5-氯-2-甲氧基苯基)乙酰胺
• 英文名称: 5-chloro-2-methoxy-acetanilide
• 英文别名: 5'-Chloro-o-acetanisidide；acetic acid-(5-chloro-2-methoxy-anilide)；4-Chlor-2-acetamino-phenol-methylaether；Essigsaeure-(5-chlor-2-methoxy-anilid)；4-Chlor-2-acetamino-anisol；2-acetamido-4-chloroanisole；N-(5-Chloro-2-methoxyphenyl)acetamide
• CAS: 7463-32-3
• 化学式: C₉H₁₀ClNO₂
• mdl: MFCD00277711
• 分子量: 199.637
• InChiKey: WKZLKZPMUWYXTK-UHFFFAOYSA-N

物化性质

• 熔点：
  104-105 °C
• 沸点：
  330.9±27.0 °C(Predicted)
• 密度：
  1.259±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  N-(5-氯-2-甲氧基苯基)乙酰胺 在 copper(I) bromide 、 氢氧化钾 、 potassium carbonate 作用下， 以 乙二醇 为溶剂， 反应 21.0h， 生成 5-chloro-N-(2-methoxyphenyl)-o-anisidine
  参考文献：
  名称：

  Fischer Indolization of Ethyl Pyruvate 2-Bis(2-methoxyphenyl)hydrazone and New Insight into the Mechanism of Fischer Indolization. (Fischer Indolization and Its Related Compounds. XXVII)

  摘要：

  为了研究取代的二苯肼在费歇尔吲哚化过程中的环化方向，我们对丙酮酸乙酯 2-双(2-甲氧基苯基)腙(6)进行了费歇尔吲哚化。结果表明，在二苯甲酮的费歇尔吲哚化过程中，环化并不总是向电子稠合核进行，而是取决于烯肼的构象。因此，费歇尔吲哚化应通过[3, 3]西格玛途径进行，并具有电子效应。

  DOI：

  10.1248/cpb.43.1287
• 作为产物：
  描述：

  5-氯-2-甲氧基苯胺 生成 N-(5-氯-2-甲氧基苯基)乙酰胺
  参考文献：
  名称：

  Reverdin; Eckhard, Chemische Berichte, 1899, vol. 32, p. 2623

  摘要：

  DOI：

文献信息

• BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS
  申请人：Staehle Wolfgang

  公开号：US20130012505A1

  公开（公告）日：2013-01-10

  The present invention relates to benzonaphthyridinamines of the formula (I) as autotaxin inhibitors and to the use thereof in the treatment and/or prophylaxis of physiological and/or pathophysiological conditions in which the inhibition, regulation and/or modulation of phosphodiesterase or lysophospholipase autotaxin plays a role, in particular of various types of cancer and autoimmune and inflammatory diseases.

  本发明涉及作为磷脂酶或溶酶体酶抑制剂的四氢异喹啉胺衍生物的公式(I)及其在治疗和/或预防生理和/或病理生理状况中的应用，特别是各种类型的癌症和自身免疫和炎症性疾病。
• Palladium-Catalyzed C−H Aminations of Anilides with <i>N</i>-Fluorobenzenesulfonimide
  作者：Kai Sun、Yan Li、Tao Xiong、Jingping Zhang、Qian Zhang

  DOI：10.1021/ja1101695

  日期：2011.2.16

  The first amide-directed, palladium-catalyzed, intermolecular, highly selective C-H aminations with the non-nitrene-based nitrogen source N-fluorobenzenesulfonimide have been developed. This methodology might provide a new pathway for directed metal-catalyzed aromatic C-H amination.

  已经开发出第一个酰胺导向、钯催化、分子间、高选择性 CH 胺化与非氮基氮源 N-氟苯磺酰亚胺。这种方法可能为定向金属催化的芳香族 CH 胺化提供了一条新途径。
• FUNGICIDAL MIXTURES
  申请人：Gregory Vann

  公开号：US20100240619A1

  公开（公告）日：2010-09-23

  Disclosed is a fungicidal composition comprising (a) at least one compound selected from the compounds of Formula 1 N-oxides, and salts thereof, wherein R 1 , R 2 , A, G, W, Z 1 , X, J, and n are as defined in the disclosure, and (b) at least one additional fungicidal compound. Also disclosed is a method for controlling plant diseases caused by fungal plant pathogens comprising applying to the plant or portion thereof, or to the plant seed, a fungicidally effective amount of the aforesaid composition. Also disclosed is a composition comprising component (a) of aforesaid composition and at least one insecticide. Also disclosed are compounds of Formula 1A, 1B and 1C, wherein R 1 , R 2 , A, G, W, Z 1 , X, J, n, Z 3 , M and J 1 are as defined in the disclosure.

  公开了一种含真菌化合物，包括：(a)至少一种选自公式1 N-氧化物的化合物，以及它们的盐类，其中R1，R2，A，G，W，Z1，X，J和n如公开所述定义，以及（b）至少一种额外的含真菌化合物。还公开了一种控制由真菌植物病原体引起的植物病害的方法，包括将有效量的前述组合物施用于植物或其部分，或施用于植物种子。还公开了一种组合物，包括前述组合物的组分(a)和至少一种杀虫剂。还公开了公式1A，1B和1C的化合物，其中R1，R2，A，G，W，Z1，X，J，n，Z3，M和J1如公开所述定义。
• Fischer indolization and its related compounds. XXIV. Fischer indolization of ethyl pyruvate 2-(2-methoxyphenyl)phenylhydrazone.
  作者：Hisashi ISHI、Takao SUGIURA、Kimiko KOGUSURI、Toshiko WATANABE、Yasuoki MURAKAMI

  DOI：10.1248/cpb.39.572

  日期：——

  In order to clarify the mechanism of Fischer indolization of 2-methoxyphenylhydrazones, Fischer indolization of ethyl pyruvate 2-(2-methoxyphenyl)phenylhydrazone (2) was carried out with hydrochloric acid in ethanol and zinc chloride in acetic acid. The reactions proceeded smoothly to give N-arylindoles (11-14) and some chlorinated diphenylamine derivatives (8-10) as by-products. Consideration of the indole products revealed that the Fischer indolization proceeded mainly at the unsubstitued phenyl nucleus rather than at the 2-methoxyphenyl nucleus. This result is inconsistent with the previous result that Fischer indolization of diarylhydrazones proceeded at the electron-richer nucleus. The structures of the diphenylamines were determined by chemical means and the mechanism of their formation is discussed.

  为了阐明2-甲氧基苯基肼的Fischer吲哚化反应机理，用盐酸-乙醇和氯化锌-乙酸对乙基丙酮酸2-(2-甲氧基苯基)苯基肼(2)进行了Fischer吲哚化反应。反应顺利进行，生成N-芳基吲哚(11-14)和一些氯代二苯胺衍生物(8-10)作为副产物。对吲哚产物的分析表明，Fischer吲哚化主要发生在未取代的苯环上，而不是在2-甲氧基苯环上。这一结果与之前二芳基肼Fischer吲哚化反应发生在电子较富集的环上的结果不一致。通过化学方法确定了二苯胺的结构，并对其生成机理进行了讨论。
• N-Substituted 2-methoxybenzenesulphonamides, process for preparing them
  申请人：Choay S.A.

  公开号：US04211776A1

  公开（公告）日：1980-07-08

  The invention relates to new N-substituted benzenesulphonamides of general formula ##STR1## in which n is 2 or 3, R.sub.1 and R.sub.2 are hydrogen atoms, methyl, ethyl groups, or jointly form with the nitrogen a nitrogenized heterocyclic ring having 5 or 6 members, in particular a piperidino, pyrrolidino or morpholino group. R.sub.3 is a hydrogen atom, an NO.sub.2 group, an NH.sub.2 group, or a halogen, R.sub.4 is a hydrogen, a halogen, NH.sub.2 group or a sulphonamide group. These compounds are useful as active substances of medicaments, in particular as antiemetic.

  本发明涉及新的N-取代苯磺酰胺，其一般式为##STR1##其中n为2或3，R.sub.1和R.sub.2为氢原子，甲基，乙基基团，或与氮一起形成具有5或6个成员的氮杂环环，特别是哌啶，吡咯烷或吗啉基团。R.sub.3为氢原子，NO.sub.2基团，NH.sub.2基团或卤素，R.sub.4为氢，卤素，NH.sub.2基团或磺酰胺基团。这些化合物可用作药物的活性物质，特别是作为抗恶心药物。

表征谱图