1-甲基-6,7-二氢-5H-环戊二烯并[c]吡啶 | 121259-09-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 1-甲基-6,7-二氢-5H-环戊二烯并[c]吡啶
• 英文名称: 2-methyl-3,4-cyclopentenopyridine
• 英文别名: 1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
• CAS: 121259-09-4
• 化学式: C₉H₁₁N
• 分子量: 133.193
• InChiKey: SKLYVKCOZSNNMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-甲基-6,7-二氢-5H-环戊二烯并[c]吡啶 、 1-苯并三唑-1-基-3-氯丙烷-2-酮 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.67h， 以32%的产率得到1-(1H-1,2,3-benzotriazol-1-ylmethyl)-8,9-dihydro-7H-pyrrolo[3,2,1-ij]quinoline
  参考文献：
  名称：

  A New Three-Carbon Synthon for Efficient Synthesis of Benzannelated and 1-(2-Arylethenyl) Heterocycles

  摘要：

  The novel three-carbon synthon 1-(1H-1,2,3-benzotriazol-1-yl)-3-chloroacetone for the synthesis of benzothiazoles, pyrido[1,2-a]indoles, and styryl-substituted indolizines and imidazo[1,2-a]pyridines is reported. The proposed routes are a general and efficient approach for heterocyclizations followed by benzannelations or attachment of arylethenyl pharmacophores.

  DOI：

  10.1021/jo000946r
• 作为产物：
  描述：

  乙酰碘 、 1-乙炔基环戊醇 在 ammonium hydroxide 、 zinc(II) chloride 、 三氯氧磷 作用下， 生成 1-甲基-6,7-二氢-5H-环戊二烯并[c]吡啶
  参考文献：
  名称：

  Simple method for the synthesis of bicyclic pyridine bases from 1-ethynylcycloalkanols and carboxylic acid chlorides

  摘要：

  DOI：

  10.1007/bf00959893

文献信息

• NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS
  申请人：Roberts Edward

  公开号：US20100010001A1

  公开（公告）日：2010-01-14

  Compounds that activate a sphingosine-1-phosphate receptor of the subtype 1 are provided. Certain compounds selectively activate the receptor subtype 1 in relation to the sphinogosine-4-phosphate receptor subtype 3. Uses and methods of inventive compounds for treatment of malconditions wherein activation, agonism, inhibition or antagonism of the S1P1 is medically indicated are provided.

  提供了激活1型鞘氨醇-1-磷酸受体的化合物。某些化合物在与鞘氨醇-4-磷酸受体亚型3相比，选择性地激活受体亚型1。提供了用于治疗需要医学上激活、激动、抑制或拮抗S1P1的恶性疾病的创新化合物的用途和方法。
• Pyrimidine derivatives
  申请人：Sato Michitaka

  公开号：US20070197551A1

  公开（公告）日：2007-08-23

  This invention provides pyrimidine derivatives represented by a formula, in the formula, ring A stands for carbocyclic group or heterocyclic group, X 1 stands for hydrogen, lower alkyl, amino, etc., X 2 stands for hydrogen or lower alkyl, Y stands for a direct bond or sulfur or nitrogen, n stands for an integer of 0-4, and Ar stands for a group of the following formula, or a salt thereof, which concurrently exhibit 5-HT 1A agonistic activity and 5-HT 3 antagonistic activity and are useful for therapy and treatments of diseases such as IBS. The invention furthermore provides a therapeutic method of IBS, characterized by having 5-HT 1A agonistic activity and 5-HT 3 antagonistic activity work simultaneously and cooperatively in vivo, which comprises either administering 5-HT 3 antagonistic agent which concurrently exhibits 5-HT 1A agonistic activity, or administering 5-HT 1A agonistic agent and 5-HT 3 antagonistic agent simultaneously, in sequence or at an interval.

  本发明提供了由下式表示的嘧啶衍生物，其中，环A代表碳环基团或杂环基团，X1代表氢、低碳基、氨基等，X2代表氢或低碳基，Y代表直接键或硫或氮，n代表0-4的整数，Ar代表以下式的基团，或其盐，同时表现出5-HT1A激动活性和5-HT3拮抗活性，并且对治疗诸如肠易激综合征等疾病有用。本发明进一步提供了一种IBS治疗方法，其特征在于在体内同时和协同地发挥5-HT1A激动活性和5-HT3拮抗活性，包括给予同时表现出5-HT1A激动活性和5-HT3拮抗活性的5-HT3拮抗剂，或同时给予5-HT1A激动剂和5-HT3拮抗剂，按顺序或间隔给予。
• TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150299146A1

  公开（公告）日：2015-10-22

  The compound represented by formula (1): wherein R 4 and R 5 each represents a hydrogen atom, a halogen atom, or a C1-C3 alkyl group; R 6 represents a C1-C4 alkyl group, a C3-C6 cycloalkyl group, or the like; R 7 , R 8 , and R 9 each represents a hydrogen atom, a halogen atom, or the like; R 10 represents a C1-C3 alkyl group, or the like; R 13 represents a C1-C3 alkyl group, or the like; and Q represents a phenyl group, or the like; has an excellent control effect on pests.

  式(1)所代表的化合物：其中，R4和R5分别表示氢原子、卤素原子或C1-C3烷基；R6表示C1-C4烷基、C3-C6环烷基或类似物；R7、R8和R9分别表示氢原子、卤素原子或类似物；R10表示C1-C3烷基或类似物；R13表示C1-C3烷基或类似物；Q表示苯基或类似物。该化合物对害虫有极好的控制效果。
• TETRAZOLINONE COMPOUND AND USE THEREOF
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP2927218A1

  公开（公告）日：2015-10-07

  The compound represented by formula (1): wherein R4 and R5 each represents a hydrogen atom, a halogen atom, or a C1-C3 alkyl group; R6 represents a C1-C4 alkyl group, a C3-C6 cycloalkyl group, or the like; R7, R8, and R9 each represents a hydrogen atom, a halogen atom, or the like; R10 represents a C1-C3 alkyl group, or the like; R13 represents a C1-C3 alkyl group, or the like; and Q represents a phenyl group, or the like; has an excellent control effect on pests.

  式 (1) 所代表的化合物： 其中 R4 和 R5 分别代表氢原子、卤素原子或 C1-C3 烷基；R6 代表 C1-C4 烷基、C3-C6 环烷基或类似基团；R7、R8 和 R9 分别代表氢原子、卤素原子或类似基团；R10 代表 C1-C3 烷基或类似基团；R13 代表 C1-C3 烷基或类似基团；以及 Q 代表苯基或类似基团； 对害虫具有极佳的防治效果。
• PYRIMIDINE DERIVATIVE
  申请人：ASKA Pharmaceutical Co., Ltd.

  公开号：EP1724267B1

  公开（公告）日：2013-11-06