3-吲嗪甲醛 | 56671-63-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 中文名称: 3-吲嗪甲醛
• 英文名称: indolizine-3-carbaldehyde
• 英文别名: 3-Formylindolizin
• CAS: 56671-63-7
• 化学式: C₉H₇NO
• mdl: MFCD10697856
• 分子量: 145.161
• InChiKey: VECXNXBOZXLDBL-UHFFFAOYSA-N

物化性质

• 沸点：
  107-108 °C(Press: 1 Torr)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  21.5
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-吲嗪甲醛 在 lithium aluminium tetrahydride 、 palladium on activated charcoal 、 ammonium acetate 、 氢气 作用下， 以 四氢呋喃 、 甲醇 、 水 、 甲苯 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  [EN] INDOLIZINE COMPOUNDS FOR THE TREATMENT OF MENTAL DISORDERS OR MENTAL ENHANCEMENT
  [FR] COMPOSÉS D'INDOLIZINE POUR LE TRAITEMENT DE TROUBLES MENTAUX OU POUR UNE AMÉLIORATION MENTALE

  摘要：

  The present invention discloses a compound, composition, method for modulating central nervous system activity, or method for treating central nervous system disorders, such as post- traumatic stress and adjustment disorders, comprising an indolizine-containing compound having a structure disclosed herein.

  公开号：

  WO2023081306A1
• 作为产物：
  描述：

  (2-picolyl)trimethylsilane 在 sodium hydroxide 、 苄基三乙基氯化铵 、 间氯过氧苯甲酸 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 氯仿 、 乙腈 为溶剂， 生成 3-吲嗪甲醛
  参考文献：
  名称：

  Heterocyclic synthesis by electrocyclization of extended dipoles: A novel access to the indolizine and quinolizine systems

  摘要：

  DOI：

  10.1016/s0040-4039(01)93807-9

文献信息

• [EN] HEPATITIS C INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE L'HÉPATITE C ET LEURS UTILISATIONS
  申请人：ABBOTT LAB

  公开号：WO2012087833A1

  公开（公告）日：2012-06-28

  This disclosure relates to: (a) compounds and salts thereof that, inter alia, inhibit HCV; (b) intermediates useful for the preparation of such compounds and salts; (c) compositions comprising such compounds and salts; (d) methods for preparing such intermediates, compounds, salts, and compositions; (e) methods of use of such compounds, salts, and compositions; and (f) kits comprising such compounds, salts, and compositions.

  这份披露涉及：(a) 抑制HCV等化合物及其盐；(b) 用于制备这些化合物和盐的中间体；(c) 包含这些化合物和盐的组合物；(d) 制备这些中间体、化合物、盐和组合物的方法；(e) 使用这些化合物、盐和组合物的方法；以及(f) 包含这些化合物、盐和组合物的试剂盒。
• [EN] TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS<br/>[FR] COMPOSE DE BENZOPYRANNE TRICYCLIQUE EN TANT QU'AGENTS ANTI-ARRYTHMIQUES
  申请人：NISSAN CHEMICAL IND LTD

  公开号：WO2005090357A1

  公开（公告）日：2005-09-29

  This invention relates to benzopyran derivatives of formula (I) or (II), or pharmaceutically acceptable salts thereof wherein R1 and R2 are independently of each other hydrogen atom, C1-6alkyl group or C6-14aryl group, R3 is hydrogen atom or C1-6alkylcarbonyloxy group, or together with R4 forms a bond, R4 is hydrogen atom, or together with R3 forms a bond, m is an integer of 0 to 4, n is an integer of 0 to 4, V is a single bond, CR7R8, NR9, O, S, SO or SO2, R5 is hydrogen atom or C1-6alkyl group, R6 is hydrogen atom, C1-6alkyl group, C3-8cycloalkyl group, C3-8cycloalkenyl group, amino group, C1-6alkylamino group, di-C1-6alkylamino group, C6-14arylamino group, C2-9heteroarylamino group, C6-14aryl group, C2-9heteroaryl group or C2-9heterocyclyl group, A is 5-, 6- or 7-member ring fused with benzene ring, as constituent atom of the ring, oxygen atom, nitrogen atom or sulfur atom may be contained in the number of 1 to 3 alone or in a combination thereof, the number of unsaturated bond in the ring is 1, 2 or 3 including an unsaturated bond of the benzene ring to be fused, carbon atoms constituting the ring may be carbonyl or thiocarbonyl. These compounds are useful as an anti-arrhythmic agent.

  本发明涉及公式（I）或（II）的苯并吡喁衍生物，或其药学上可接受的盐，其中R1和R2分别是氢原子、C1-6烷基或C6-14芳基，R3是氢原子或C1-6烷基羰氧基，或与R4一起形成键，R4是氢原子，或与R3一起形成键，m是0到4的整数，n是0到4的整数，V是单键，CR7R8，NR9，O，S，SO或SO2，R5是氢原子或C1-6烷基，R6是氢原子，C1-6烷基，C3-8环烷基，C3-8环烯基，氨基，C1-6烷基氨基，二C1-6烷基氨基，C6-14芳基氨基，C2-9杂芳基氨基，C6-14芳基，C2-9杂芳基或C2-9杂环烷基，A是与苯环融合的5、6或7成员环，作为环的组成原子，氧原子、氮原子或硫原子可以单独或组合地包含在其中，环中的不饱和键数为1、2或3，包括与苯环融合的不饱和键，构成环的碳原子可以是羰基或硫代羰基。这些化合物可用作抗心律失常药物。
• Process for Producing Optically Active Chromene Oxide Compound
  申请人：Kondo Shoichi

  公开号：US20090043100A1

  公开（公告）日：2009-02-12

  [Problems] To provide an efficient process for producing an optically active chromene oxide compound which is an important intermediate for a benzopyran compound effective in the treatment of arrhythmia. [Means For Solving Problems] The process for producing an optically active chromene oxide compound comprises using an optically active titanium complex represented by, e.g., the formula (1) or (2) as a catalyst to asymmetrically oxidize an optically active chromene compound with high enantioselectivity in high chemical yield.

  [问题] 提供一种高效的生产光学活性的色兰氧化合物的方法，该化合物是治疗心律失常的苯并吡喃化合物的重要中间体。 [解决问题的方法] 生产光学活性的色兰氧化合物的方法包括使用光学活性钛配合物作为催化剂，例如使用公式（1）或（2）表示的光学活性钛配合物，以高对映选择性和高化学收率不对称氧化光学活性的色兰化合物。
• Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents
  申请人：Ohrai Kazuhiko

  公开号：US20080004262A1

  公开（公告）日：2008-01-03

  This invention relates to benzopyran derivatives of formula (I) or (II), or pharmaceutically acceptable salts thereof wherein R 1 and R 2 are independently of each other hydrogen atom, C 1-6 alkyl group or C 6-14 aryl group, R 3 is hydrogen atom or C 1-6 alkylcarbonyloxy group, or together with R 4 forms a bond, R 4 is hydrogen atom, or together with R 3 forms a bond, m is an integer of 0 to 4, n is an integer of 0 to 4, V is a single bond, CR 7 R 8 , NR 9 , O, S, SO or SO 2 , R 5 is hydrogen atom or C 1-6 alkyl group, R 6 is hydrogen atom, C 1-6 alkyl group, C 3-8 cycloalkyl group, C 3-8 cycloalkenyl group, amino group, C 1-6 alkylamino group, di-C 1-6 alkylamino group, C 6-14 arylamino group, C 2-9 heteroarylamino group, C 6-14 aryl group, C 2-9 heteroaryl group or C 2-9 heterocyclyl group, A is 5-, 6- or 7-member ring fused with benzene ring, as constituent atom of the ring, oxygen atom, nitrogen atom or sulfur atom may be contained in the number of 1 to 3 alone or in a combination thereof, the number of unsaturated bond in the ring is 1, 2 or 3 including an unsaturated bond of the benzene ring to be fused, carbon atoms constituting the ring may be carbonyl or thiocarbonyl. These compounds are useful as an anti-arrhythmic agent.

  本发明涉及式（I）或（II）的苯并吡喃衍生物，或其药学上可接受的盐，其中R1和R2独立地为氢原子，C1-6烷基或C6-14芳基；R3为氢原子或C1-6烷基羰氧基，或与R4一起形成键；R4为氢原子，或与R3一起形成键；m为0至4的整数，n为0至4的整数，V为单键，CR7R8，NR9，O，S，SO或SO2；R5为氢原子或C1-6烷基，R6为氢原子，C1-6烷基，C3-8环烷基，C3-8环烯基，氨基，C1-6烷基氨基，二C1-6烷基氨基，C6-14芳基氨基，C2-9杂芳基氨基，C6-14芳基，C2-9杂芳基或C2-9杂环烷基；A为与苯环融合的5、6或7元环，作为环的组成原子，其中单独或组合存在1至3个氧原子、氮原子或硫原子，环中不饱和键的数量为1、2或3，包括与苯环融合的不饱和键，构成环的碳原子可以是羰基或硫代羰基。这些化合物可用作抗心律失常药物。
• Tricyclic benzopyrane compound
  申请人：Ohrai Kazuhiko

  公开号：US20100069374A1

  公开（公告）日：2010-03-18

  This invention relates to benzopyran derivatives of formula (I) or (II), or pharmaceutically acceptable salts thereof wherein R 1 and R 2 are independently of each other hydrogen atom, C 1-6 alkyl group or C 6-14 aryl group, R 3 is hydrogen atom or C 1-6 alkylcarbonyloxy group, or together with R 4 forms a bond, R 4 is hydrogen atom, or together with R 3 forms a bond, m is an integer of 0 to 4, n is an integer of 0 to 4, V is a single bond, CR 7 R 8 , NR 9 , O, S, SO or SO 2 , R 5 is hydrogen atom or C 1-6 alkyl group, R 6 is hydrogen atom, C 1-6 alkyl group, C 3-8 cycloalkyl group, C 3-8 cycloalkenyl group, amino group, C 1-6 alkylamino group, di-C 1-6 alkylamino group, C 6-14 arylamino group, C 2-9 heteroarylamino group, C 6-14 aryl group, C 2-9 heteroaryl group or C 2-9 heterocyclyl group, A is 5-, 6- or 7-member ring fused with benzene ring, as constituent atom of the ring, oxygen atom, nitrogen atom or sulfur atom may be contained in the number of 1 to 3 alone or in a combination thereof, the number of unsaturated bond in the ring is 1, 2 or 3 including an unsaturated bond of the benzene ring to be fused, carbon atoms constituting the ring may be carbonyl or thiocarbonyl. These compounds are useful as an anti-arrhythmic agent.

  本发明涉及公式（I）或（II）的苯并吡喃衍生物或其药学上可接受的盐， 其中R1和R2独立地是氢原子，C1-6烷基或C6-14芳基，R3是氢原子或C1-6烷基羰氧基，或与R4一起形成键，R4是氢原子，或与R3一起形成键，m是0到4的整数，n是0到4的整数，V是单键，CR7R8，NR9，O，S，SO或SO2，R5是氢原子或C1-6烷基，R6是氢原子，C1-6烷基，C3-8环烷基，C3-8环烯基，氨基，C1-6烷基氨基，双C1-6烷基氨基，C6-14芳基氨基，C2-9杂芳基氨基，C6-14芳基，C2-9杂芳基或C2-9杂环烷基，A是与苯环融合的5、6或7成员环，作为环的组成原子，其中含有1到3个氧原子，氮原子或硫原子，或其组合，环中不饱和键的数量为1、2或3，包括与苯环融合的不饱和键，构成环的碳原子可以是羰基或硫代羰基。这些化合物可用作抗心律失常剂。