4-chloro-5-ethoxy-2-methyl-2H-pyridazin-3-one | 40905-04-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-chloro-5-ethoxy-2-methyl-2H-pyridazin-3-one
• 英文别名: 4-chloro-5-ethoxy-2-methylpyridazin-3-one
• CAS: 40905-04-2
• 化学式: C₇H₉ClN₂O₂
• mdl: MFCD02083165
• 分子量: 188.614
• InChiKey: XPIMLJKEDCWECP-UHFFFAOYSA-N

物化性质

• 熔点：
  105-107 °C(Solv: ethanol (64-17-5))
• 沸点：
  282.2±50.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-chloro-5-ethoxy-2-methyl-2H-pyridazin-3-one 以61%的产率得到
  参考文献：
  名称：

  TAKAYA MASAHIRO; YAMASHITA TAKEHIKO; OZEKI KOJI, YAKUGAKU DZASSI, YAKUGAKU ZASSNI, J. PHARM. SOS. JAR., 1978, 98, NO 4, 41+

  摘要：

  DOI：
• 作为产物：
  描述：

  4,5-二氯-2-甲基哒嗪-3-酮 、 sodium ethanolate 以 乙醇 为溶剂， 反应 0.5h， 以83%的产率得到4-chloro-5-ethoxy-2-methyl-2H-pyridazin-3-one
  参考文献：
  名称：

  Lyga, John W., Journal of Heterocyclic Chemistry, 1988, vol. 25, p. 1757 - 1760

  摘要：

  DOI：

文献信息

• HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD CONTROLLING AGENT CONTAINING SAME
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP3483144A1

  公开（公告）日：2019-05-15

  The present invention provides a heterocyclic compound that exhibits superior control effect aganist harmful arthropods and that is represented by formula (I): (I) [in the formula, Q1 represents an oxygen atom or the like; Q2 represents an oxygen atom or the like; T represents a C1-C10 chain hydrocarbon group or the like; A1 represents a nitrogen atom or the like; A2 represents a nitrogen atom or the like; A3 represents a nitrogen atom or the like; A4 represents a nitrogen atom or the like; R2 represents a cyclopropyl group or the like; R3 represents a C1-C6 chain hydrocarbon groupor the like; n is 1 or 2; and q is 0, 1, 2 or 3], and also provides a composition containing said compound and one or more types of components selected from a group including a group (a), a group (b), a group (c), and a group (d) described in the Description.

  本发明提供了一种杂环化合物，该化合物对有害节肢动物具有优异的防治效果，由式(I)表示：(I) [式中，Q1 代表氧原子或类似物；Q2 代表氧原子或类似物；T 代表 C1-C10 链烃基或类似物；A1 代表氮原子或类似物；A2 代表氮原子或类似物；A3 代表氮原子或类似物；A4 代表氮原子或类似物；R2代表环丙基或类似基团；R3代表C1-C6链烃基或类似基团；n为1或2；以及q为0、1、2或3]，还提供了一种组合物，该组合物含有所述化合物和一种或多种选自包括描述中所述基团(a)、基团(b)、基团(c)和基团(d)的组的组分。
• Synthesis and Biological Evaluation of Novel Pyridazinone-Based α₄ Integrin Receptor Antagonists
  作者：Yong Gong、J. Kent Barbay、Alexey B. Dyatkin、Tamara A. Miskowski、Edward S. Kimball、Stephen M. Prouty、M. Carolyn Fisher、Rosemary J. Santulli、Craig R. Schneider、Nathaniel H. Wallace、Scott A. Ballentine、William E. Hageman、John A. Masucci、Bruce E. Maryanoff、Bruce P. Damiano、Patricia Andrade-Gordon、Dennis J. Hlasta、Pamela J. Hornby、Wei He

  DOI：10.1021/jm060031q

  日期：2006.6.1

  A novel series of pyridazinone-functionalized phenylalanine analogues was prepared and evaluated for inhibition of cellular adhesion mediated by alpha(4)beta(1)/VCAM-1 and alpha(4)beta(7)/MAdCAM-1 interactions. Concise syntheses were developed and applied for exploration of structure-activity relationships pertaining to the pyridazinone ring as well as the N-acyl phenylalanine scaffold. Potent dual antagonists of alpha(4)beta(1) and alpha(4)beta(7) were generated from an amide subseries; antagonists selective for alpha(4)beta(7) were identified from urea and carbamate-based subseries. The pharmacokinetic properties of selected members of the series have been determined in rats and demonstrate that the use of ester prodrugs and alterations to the amide linkage can lead to improved oral bioavailability in this series. An alpha(4),beta(7)-selective member of the carbamate subseries (36c), upon oral admininstration, demonstrated in vivo efficacy in the mouse DSS colitis model.
• LYGA, JOHN W., J. HETEROCYCL. CHEM., 25,(1988) N, C. 1757-1760
  作者：LYGA, JOHN W.

  DOI：——

  日期：——
• KONECNY, V.;KOVAC, S.;VARKONDA, S., CHEM. PAP., CSSR, 1985, 39, N 4, 513-526
  作者：KONECNY, V.、KOVAC, S.、VARKONDA, S.

  DOI：——

  日期：——
• Lyga, John W., Journal of Heterocyclic Chemistry, 1988, vol. 25, p. 1757 - 1760
  作者：Lyga, John W.

  DOI：——

  日期：——