3-carboethoxy-4-hydroxy-5,6,7,8-tetrahydro-2(1H)-quinolone | 56517-53-4

• 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
• 英文名称: 3-carboethoxy-4-hydroxy-5,6,7,8-tetrahydro-2(1H)-quinolone
• 英文别名: 4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro-3(1H)-quinolinecarboxylic acid ethl ester；4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethyl ester；ethyl 4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate；3-carboethoxy-4-hydroxy-5,6,7,8-tetrahydrocarbostyril；ethyl 4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
• CAS: 56517-53-4
• 化学式: C₁₂H₁₅NO₄
• 分子量: 237.255
• InChiKey: LOGDXXVRFXBURG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-carboethoxy-4-hydroxy-5,6,7,8-tetrahydro-2(1H)-quinolone 在 水 、 溶剂黄146 作用下， 以 盐酸 为溶剂， 反应 30.0h， 生成 4-羟基-1,2,5,6,7,8-六氢喹啉-2-酮
  参考文献：
  名称：

  Tetrahydrocarbostyril derivatives for the prophylaxis of asthma,

  摘要：

  具有抗过敏活性的药物组合物，其中活性抗过敏剂是某些3-硝基-.alpha.-吡啶酮及其药学上可接受的盐，在一个或多个药学上可接受的载体中制剂。

  公开号：

  US04006237A1
• 作为产物：
  描述：

  1-isocyanatocyclohex-1-ene 在 sodium hydride 作用下， 以 甲苯 为溶剂， 反应 1.58h， 生成 3-carboethoxy-4-hydroxy-5,6,7,8-tetrahydro-2(1H)-quinolone
  参考文献：
  名称：

  Rigby, James H.; Qabar, Maher, Synthetic Communications, 1990, vol. 20, # 17, p. 2699 - 2709

  摘要：

  DOI：

文献信息

• FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF
  申请人：FUJII Nobuhiro

  公开号：US20090227561A1

  公开（公告）日：2009-09-10

  The present invention provides a compound having a superior Smo inhibitory activity and lower toxicity, which is sufficiently satisfactory as a pharmaceutical product. The present invention provides a compound represented by the formula wherein ring A is 5- to 7-membered ring optionally having substituent(s), where substituents are optionally bonded to each other to form a ring; X is O, S or NR 1 (R 1 is a hydrogen atom or a hydrocarbon group optionally having substituent(s)); R 2 is carbamoyl optionally having substituent(s); and R 3 is hydroxy optionally having substituent(s), or a salt thereof.

  本发明提供了一种具有优异的Smo抑制活性和较低毒性的化合物，该化合物作为药物产品是完全令人满意的。本发明提供了一种由下式表示的化合物： 其中，环A是5-至7-成员环，可选择地具有取代基，其中取代基可选择地与彼此结合形成环；X是O、S或NR1（R1是氢原子或具有取代基的碳氢基团）；R2是氨基甲酰，可选择地具有取代基；R3是羟基，可选择地具有取代基，或其盐。
• Tetrahydrocarbostyril derivatives for the prophylaxis of asthma,
  申请人：Beecham Group Limited

  公开号：US04006237A1

  公开（公告）日：1977-02-01

  Pharmaceutical compositions having anti-allergy activity in which the active anti-allergy agents are certain 3-nitro-.alpha.-pyridones and their pharmaceutically acceptable salts formulated in one or more pharmaceutically acceptable carriers.

  具有抗过敏活性的药物组合物，其中活性抗过敏剂是某些3-硝基-.alpha.-吡啶酮及其药学上可接受的盐，在一个或多个药学上可接受的载体中制剂。
• 4-Hydroxy-3-nitro-5,6,7,8 tetrahydro-carbostyrils
  申请人：Beecham Group Limited

  公开号：US04031099A1

  公开（公告）日：1977-06-21

  A class of 4-hydroxy-3-nitro-.alpha.-pyridones have anti-allergic activity.

  一类4-羟基-3-硝基-α-吡啶酮具有抗过敏活性。
• Bicyclic fused pyridinyl amides and advantagesous compositons thereof for use as fungicides
  申请人：Bisaha Joseph John

  公开号：US20050020644A1

  公开（公告）日：2005-01-27

  Compounds of Formula I, including all geometric and stereoisomers, N-oxides, and agriculturally suitable salts thereof: (Formula I); wherein X and either Y or Z are a linking chain 3 or 4 atoms in length attached to contiguous carbon atoms and are taken together with said carbon atoms to form a fused phenyl ring, a fused 5- or 6-membered nonaromatic carbocyclic or heterocyclic ring optionally including one or two ring members selected from the group consisting of C(═O), SO or S(O) 2 , or a fused 5- or 6-membered heteroaromatic ring, each fused ring optionally substituted with one to three substituents independently selected from R 7 ; and R 1 , R 2 , R 5 , R 6 R 7 , m and p are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula I and a method for controlling plant diseases caused by fungal plant pathogens that involves applying an effective amount of a compound of Formula I.

  公式I的化合物，包括所有的几何和立体异构体，N-氧化物和适用于农业的盐：（公式I）;其中X和Y或Z之一是一个链接链，长度为3或4个原子，连接到相邻的碳原子，并与该碳原子一起形成一个融合的苯环，一个融合的5-或6-成员非芳香碳环或杂环，可选地包括来自C（═O），SO或S（O）2的一个或两个环成员，或一个融合的5-或6-成员杂芳环，每个融合环可选地被一个到三个独立选择的R7取代; R1，R2，R5，R6R7，m和p如披露中所定义。还披露了包含公式I化合物的组合物以及一种用公式I化合物的有效量来控制由真菌植物病原体引起的植物病害的方法。
• Fused heterocyclic derivative and use thereof
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US08217176B2

  公开（公告）日：2012-07-10

  The present invention provides a compound having a superior Smo inhibitory activity and lower toxicity, which is sufficiently satisfactory as a pharmaceutical product. The present invention provides a compound represented by the formula wherein ring A is 5- to 7-membered ring optionally having substituent(s), where substituents are optionally bonded to each other to form a ring; X is O, S or NR1 (R1 is a hydrogen atom or a hydrocarbon group optionally having substituent(s)); R2 is carbamoyl optionally having substituent(s); and R3 is hydroxy optionally having substituent(s), or a salt thereof.

  本发明提供了一种化合物，具有优越的Smo抑制活性和较低的毒性，足以作为药物产品。本发明提供的化合物由以下式子表示：其中环A是5-至7-成员环，可选地具有取代基，其中取代基可选择结合在一起形成环；X是O、S或NR1（R1是氢原子或具有取代基的碳氢基团）；R2是氨基甲酰基，可选地具有取代基；R3是羟基，可选地具有取代基，或其盐。