2-氯-5,6,7,8-四氢喹啉-3-羧酸 | 99058-34-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 2-氯-5,6,7,8-四氢喹啉-3-羧酸
• 英文名称: 2-Chlor-5,6,7,8-tetrahydro-chinolin-carbonsaeure-(3)
• 英文别名: 5,6,7,8-Tetrahydro-2-chlor-chinolin-3-carbonsaeure；2-chloro-5,6,7,8-tetrahydro-quinoline-3-carboxylic acid；2-Chloro-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
• CAS: 99058-34-1
• 化学式: C₁₀H₁₀ClNO₂
• 分子量: 211.648
• InChiKey: JUAXTTJHJSYZQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-氯-5,6,7,8-四氢喹啉-3-羧酸 在 potassium tert-butylate 、 三乙胺 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 28.25h， 生成 3-Butyl-4-hydroxy-1-phenyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-2-one
  参考文献：
  名称：

  Antiallergy agents. 1. Substituted 1,8-naphthyridin-2(1H)-ones as inhibitors of SRS-A release

  摘要：

  A novel class of antiallergy agents, the substituted 1,8-naphthyridin-2(1H)-ones, is described. The present compounds are orally active, potent inhibitors of allergic and nonallergic bronchospasm in animal models. Structure-activity studies of the lead compound in this series, 1-phenyl-3-n-butyl-4-hydroxynaphthyridin-2(1H)-one (11), identified three compounds of interest, 1-phenyl-3-(2-propenyl)-4-acetoxy-1,8-naphthyridin-2(1H)-one (12), 1-(3'-chlorophenyl)-3-(2-propenyl)-4-acetoxy-1,8-naphthyridin-2(1H )-one (87), and 1-(3'-methoxyphenyl)-3-(2-propenyl)-4-acetoxy-1,8-naphthyridin-2(1 H)-one (89). The mechanism of antiallergy activity may involve inhibition of the release of the sulfidopeptide leukotrienes. 1-Phenyl-3-(2-propenyl)-4-acetoxy-1,8-naphthyridin-2(1H)-one, Sch 33303 (12), was selected for preclinical development as an antiallergy agent.

  DOI：

  10.1021/jm00119a010
• 作为产物：
  描述：

  sodium (E)-(2-oxocyclohexylidene)methanolate 在 盐酸 、 水 、 哌啶乙酸盐 、 三氯氧磷 作用下， 以 水 为溶剂， 反应 29.0h， 生成 2-氯-5,6,7,8-四氢喹啉-3-羧酸
  参考文献：
  名称：

  [EN] NOVEL SUBSTITUTED FUSED BICYCLIC PYRIDINE CARBOXAMIDE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI
  [FR] NOUVEAUX COMPOSÉS DE PYRIDINE CARBOXAMIDE BICYCLIQUES FUSIONNÉS SUBSTITUÉS POUR LUTTER CONTRE DES CHAMPIGNONS PHYTOPATHOGÈNES

  摘要：

  The present invention provides a compound formula (I), Formula (I) wherein, R1, R2, R3, R5, R6, R7, R8, R9, X, Z1and Z2are as defined in the detailed description and a process for preparing the compound of formula (I). The present invention also provides a composition and a combination comprising the novel fused bicyclic pyridine carboxamide compounds and method for combating phytopathogenic fungi using the same.

  公开号：

  WO2023112056A1

文献信息

• GAVRILOV, M. YU.;XALDEEVA, V. A.;KONSHIN, M. E., IZV. VUZOV. XIMIYA I XIM. TEXNOL., 30,(1987) N 7, 42-45
  作者：GAVRILOV, M. YU.、XALDEEVA, V. A.、KONSHIN, M. E.

  DOI：——

  日期：——
• GAVRILOV, M. YU.;KONSHIN, M. E., IZV. VUZOV. XIMIYA I XIM. TEXNOL., 31,(1988) N 10, S. 48-51
  作者：GAVRILOV, M. YU.、KONSHIN, M. E.

  DOI：——

  日期：——
• SHERLOCK, MARGARET H.;KAMINSKI, JAMES J.;TOM, WING C.;LEE, JOE F.;WONG, S+, J. MED. CHEM., 31,(1988) N 11, C. 2108-2121
  作者：SHERLOCK, MARGARET H.、KAMINSKI, JAMES J.、TOM, WING C.、LEE, JOE F.、WONG, S+

  DOI：——

  日期：——
• Antiallergy agents. 1. Substituted 1,8-naphthyridin-2(1H)-ones as inhibitors of SRS-A release
  作者：Margaret H. Sherlock、James J. Kaminski、Wing C. Tom、Joe F. Lee、Shing Chun Wong、William Kreutner、Robert W. Bryant、Andrew T. McPhail

  DOI：10.1021/jm00119a010

  日期：1988.11

  A novel class of antiallergy agents, the substituted 1,8-naphthyridin-2(1H)-ones, is described. The present compounds are orally active, potent inhibitors of allergic and nonallergic bronchospasm in animal models. Structure-activity studies of the lead compound in this series, 1-phenyl-3-n-butyl-4-hydroxynaphthyridin-2(1H)-one (11), identified three compounds of interest, 1-phenyl-3-(2-propenyl)-4-acetoxy-1,8-naphthyridin-2(1H)-one (12), 1-(3'-chlorophenyl)-3-(2-propenyl)-4-acetoxy-1,8-naphthyridin-2(1H )-one (87), and 1-(3'-methoxyphenyl)-3-(2-propenyl)-4-acetoxy-1,8-naphthyridin-2(1 H)-one (89). The mechanism of antiallergy activity may involve inhibition of the release of the sulfidopeptide leukotrienes. 1-Phenyl-3-(2-propenyl)-4-acetoxy-1,8-naphthyridin-2(1H)-one, Sch 33303 (12), was selected for preclinical development as an antiallergy agent.
• [EN] NOVEL SUBSTITUTED FUSED BICYCLIC PYRIDINE CARBOXAMIDE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI<br/>[FR] NOUVEAUX COMPOSÉS DE PYRIDINE CARBOXAMIDE BICYCLIQUES FUSIONNÉS SUBSTITUÉS POUR LUTTER CONTRE DES CHAMPIGNONS PHYTOPATHOGÈNES
  申请人：[en]PI INDUSTRIES LTD.

  公开号：WO2023112056A1

  公开（公告）日：2023-06-22

  The present invention provides a compound formula (I), Formula (I) wherein, R1, R2, R3, R5, R6, R7, R8, R9, X, Z1and Z2are as defined in the detailed description and a process for preparing the compound of formula (I). The present invention also provides a composition and a combination comprising the novel fused bicyclic pyridine carboxamide compounds and method for combating phytopathogenic fungi using the same.