6-methyl-2-phenacylpyridazin-3(2H)-one | 63900-47-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-methyl-2-phenacylpyridazin-3(2H)-one
• 英文别名: 6-methyl-2-(2-oxo-2-phenyl-ethyl)-2H-pyridazin-3-one；6-Methyl-2-phenacylpyridazin-3-one
• CAS: 63900-47-0
• 化学式: C₁₃H₁₂N₂O₂
• 分子量: 228.25
• InChiKey: XOXDIOCOOYXHBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  49.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-methyl-2-phenacylpyridazin-3(2H)-one 、 硫酸 、 sodium perchlorate 以80%的产率得到
  参考文献：
  名称：

  SATOH KAZUE; MIYASAKA TADASHI; ARAKAWA KIICHI, YAKUGAKU DZASSI, YAKUGAKU ZASSNI, J. PHARM. SOS. JAR., 1977, 97, HO 4, 42+

  摘要：

  DOI：
• 作为产物：
  描述：

  6-甲基-3(2H)-哒嗪酮 生成 6-methyl-2-phenacylpyridazin-3(2H)-one
  参考文献：
  名称：

  SATOH KAZUE; MIYASAKA TADASHI; ARAKAWA KIICHI, YAKUGAKU DZASSI, YAKUGAKU ZASSNI, J. PHARM. SOS. JAR., 1977, 97, HO 4, 42+

  摘要：

  DOI：

文献信息

• 2-(CYCLIC AMINOCARBONYL)INDOLINE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE SAME
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP1840126A1

  公开（公告）日：2007-10-03

  A compound of the following formula (I): wherein A is a group of the following formula (I-A): wherein X is an oxygen atom or a sulfur atom, R4 is a hydrogen atom, a C1-6 alkyl group, or other, R5 is a hydrogen atom or other; or a heteroaryl group or other optionally substituted with a halogen, a C1-6 alkyl, a C1-6 alkoxy, or other; R1 and R2 are the same or different and are a hydrogen atom, a C1-6 alkyl group or other; R3 is a hydrogen atom, a halogen atom, a C1-6 alkoxy group, or other; Ra and Rb are the same or different and are a hydrogen atom or a C1-6 alkyl group; and n is an integer of 0-5; or a pharmaceutically acceptable acid addition salt thereof, which can selectively act on mitochondrial benzodiazepine receptor and is useful as a medicament for treating/preventing anxiety disorder, depression, epilepsy, dementia, and so on.

  以下是公式（I）的化合物： 其中A是以下公式（I-A）的一个基团： 其中X是氧原子或硫原子，R4是氢原子，C1-6烷基或其他，R5是氢原子或其他；或者是杂环基团或其他，可选择地取代有卤素、C1-6烷基、C1-6烷氧基或其他；R1和R2相同或不同，是氢原子、C1-6烷基或其他；R3是氢原子、卤素原子、C1-6烷氧基或其他；Ra和Rb相同或不同，是氢原子或C1-6烷基；n是0-5的整数；或其药学上可接受的酸盐，可选择性地作用于线粒体苯二氮卓受体，用作治疗/预防焦虑症、抑郁症、癫痫、痴呆等疾病的药物。
• 2-(Cyclic Aminocarbonyl) Indoline Derivative and Medicinal Composition Containing the Same
  申请人：Kondo Katsunori

  公开号：US20080221114A1

  公开（公告）日：2008-09-11

  A compound of the following formula (I): wherein A is a group of the following formula (I-A): wherein X is an oxygen atom or a sulfur atom, R 4 is a hydrogen atom, a C 1-6 alkyl group, or other, R 5 is a hydrogen atom or other; or a heteroaryl group or other optionally substituted with a halogen, a C 1-6 alkyl, a C 1-6 alkoxy, or other; R 1 and R 2 are the same or different and are a hydrogen atom, a C 1-6 alkyl group or other; R 3 is a hydrogen atom, a halogen atom, a C 1-6 alkoxy group, or other; R a and R b are the same or different and are a hydrogen atom or a C 1-6 alkyl group; and n is an integer of 0-5; or a pharmaceutically acceptable acid addition salt thereof, which can selectively act on mitochondrial benzodiazepine receptor and is useful as a medicament for treating/preventing anxiety disorder, depression, epilepsy, dementia, and so on.

  以下化合物的化学式(I)，其中A是以下化学式(I-A)的基团：其中X是氧原子或硫原子，R4是氢原子，C1-6烷基或其他，R5是氢原子或其他；或是杂环芳基或其他，可选择地用卤素，C1-6烷基，C1-6烷氧基或其他取代；R1和R2相同或不同，是氢原子，C1-6烷基或其他；R3是氢原子，卤素原子，C1-6烷氧基或其他；Ra和Rb相同或不同，是氢原子或C1-6烷基；n是0-5的整数；或其药学上可接受的酸加盐，可选择性地作用于线粒体苯二氮䓬受体，用作治疗/预防焦虑症、抑郁症、癫痫、痴呆症等药物。
• The Synthesis of Pyrrolo[1,2-a]pyrazin-1(2H)-ones and Pyrrolo[1,2-b]pyridazin-6(5H)-ones
  作者：Derek McHattie、Robert Buchan、Martin Fraser、Paul V. S. Kong Thoo Lin

  DOI：10.3987/com-92-6085

  日期：——

  The pyrrolo[1,2-a]pyrazin-1(2H)-ones (10), (11), (12) and (13) and the pyrrolo[1,2-b[pyridazin-6(5H)-one (18) were prepared either a) directly by Chichibabin quaternisation-cyclisation of the corresponding methoxy-methylpyrazine or pyridazine or b) by hydrogen halide hydrolysis of methoxypyrrolo[1,2-a]pyrazines and methoxypyrrolo[1,2-b]pyridazines. Protonation studies and some reactivity of the systems are discussed.
• SATOH KAZUE; MIYASAKA TADASHI; ARAKAWA KIICHI, YAKUGAKU DZASSI, YAKUGAKU ZASSNI, J. PHARM. SOS. JAR., 1977, 97, HO 4, 42+
  作者：SATOH KAZUE、 MIYASAKA TADASHI、 ARAKAWA KIICHI

  DOI：——

  日期：——