3,3'-trimethylene-2,2'-bipyridine | 97919-83-0

• 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
• 英文名称: 3,3'-trimethylene-2,2'-bipyridine
• 英文别名: 3,15-Diazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
• CAS: 97919-83-0
• 化学式: C₁₃H₁₂N₂
• 分子量: 196.252
• InChiKey: YEYSYOWRLMCHBB-UHFFFAOYSA-N

物化性质

• 熔点：
  140-141 °C
• 沸点：
  402.1±20.0 °C(Predicted)
• 密度：
  1.152±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,3'-trimethylene-2,2'-bipyridine 、 1,2-二溴乙烷 以83%的产率得到
  参考文献：
  名称：

  THUMMEL, R. P.;LEFOULON, F.;MAHADEVAN, RAMANATHAN, J. ORG. CHEM., 1985, 50, N 20, 3824-3828

  摘要：

  DOI：
• 作为产物：
  描述：

  5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-one 在 sodium acetate 、 sodium carbonate 作用下， 以 乙醇 为溶剂， 反应 52.0h， 生成 3,3'-trimethylene-2,2'-bipyridine
  参考文献：
  名称：

  Polyaza cavity shaped molecules. 5. Annelated derivatives of 2,2'-bipyridine

  摘要：

  DOI：

  10.1021/jo00220a028

文献信息

• Drug conjugates
  申请人：Ojima Iwao

  公开号：US20050232928A1

  公开（公告）日：2005-10-20

  A compound having the formula Y-A-Z, wherein: A is a 5, 6, or 7 member ring that is monocyclic or is fused to 1 to 3 additional 4 to 8 member rings; wherein ring A and, independently, the fused additional rings are carbocyclic or heterocyclic, and saturated or unsaturated, wherein unsaturated rings are aromatic or non-aromatic; wherein Y and Z are substituents at adjacent positions on ring A; Y represents: Z represents: X and E represent O, S, or NR a or NR b ; each of a, b, c, d, e and f independently represents 0 or 1; a+c equals 0, 1, or 2; b+d equals 0, 1, or 2; a+b+c+d+e+f equals 1, 2, or 3; provided that when f is 1, then d is 1, and when d is 0, then f is 0; and when both e and b are 0, then neither R 1 nor R 1 is chloro or bromo; v represents 0 or 1, provided that when v is 0, then J is hydrogen, a metal ion, or a quaternary ammonium ion; and X is O and G is H; either G is hydrogen, a metal ion, a quaternary ammonium ion, lower alkyl, or comprised of a pharmaceutically active chemical compound or the precursor thereof; or X-G represents a carbonyl-activating group; J is lower alkyl, aryl, heteroaryl, omega-hydroxycarbonyl-(lower alkyl), omega-(lower alkoxy)carbonyl-(lower alkyl), omega-(X-G)-carbonyl-(lower alkyl) group, or comprised of a specific binding agent; and R a , R b , R 1 , R 2 , R 3 , R 4 are as defined in the specification.

  具有Y-A-Z分子式的化合物，其中：A是一个5、6或7成员环，可以是单环的，也可以与1至3个额外的4至8成员环融合；其中环A和额外融合的环独立地可以是碳环或杂环，饱和或不饱和，不饱和环可以是芳香的或非芳香的；其中Y和Z是环A上相邻位置的取代基；Y代表：Z代表：X和E代表O、S或NRa或NRb；a、b、c、d、e和f中的每一个独立地代表0或1；a+c等于0、1或2；b+d等于0、1或2；a+b+c+d+e+f等于1、2或3；条件是当f为1时，d为1，当d为0时，f为0；当e和b都为0时，R1和R1都不是氯或溴；v代表0或1，条件是当v为0时，J为氢、金属离子或季铵离子；X为O且G为H；G为氢、金属离子、季铵离子、低碳基，或由药用活性化学化合物或其前体组成；或者X-G代表一个羰基活化基团；J为低碳基、芳基、杂环基、ω-羟基羰基-(低碳基)、ω-(低烷氧基)羰基-(低碳基)、ω-(X-G)-羰基-(低碳基)基团，或由特异结合剂组成；而Ra、Rb、R1、R2、R3、R4如规范中所定义。
• DRUG CONJUGATES
  申请人：Ojima Iwao

  公开号：US20080139815A1

  公开（公告）日：2008-06-12

  A compound having the formula Y-A-Z, wherein: A is a 5, 6, or 7 member ring that is monocyclic or is fused to 1 to 3 additional 4 to 8 member rings; wherein ring A and, independently, the fused additional rings are carbocyclic or heterocyclic, and saturated or unsaturated, wherein unsaturated rings are aromatic or non-aromatic; wherein Y and Z are substituents at adjacent positions on ring A; Y represents: Z represents: X and E represent O, S, or NR a or NR b ; each of a, b, c, d, e and f independently represents 0 or 1; a+c equals 0, 1, or 2; b+d equals 0, 1, or 2; a+b+c+d+e+f equals 1, 2, or 3; provided that when f is 1, then d is 1, and when d is 0, then f is 0; and when both e and b are 0, then neither R 1 nor R 2 is chloro or bromo; v represents 0 or 1, provided that when v is 0, then J is hydrogen, a metal ion, or a quaternary ammonium ion, and X is O and G is H; either G is hydrogen, a metal ion, a quaternary ammonium ion, lower alkyl, or comprised of a pharmaceutically active chemical compound or the precursor thereof; or X-G represents a carbonyl-activating group; J is lower alkyl, aryl, heteroaryl, omega-hydroxycarbonyl-(lower alkyl), omega-(lower alkoxy)carbonyl-(lower alkyl), omega-(X-G)-carbonyl-(lower alkyl) group, or comprised of a specific binding agent; and R a , R b , R 1 , R 2 , R 3 , R 4 are as defined in the specification.

  化合物的化学式为Y-A-Z，其中：A是一个5、6或7个成员环，可以是单环或与1到3个其他4到8个成员环融合；其中，环A和独立的融合环均为碳环或杂环，饱和或不饱和，不饱和环为芳香或非芳香；Y和Z是环A上相邻位置的取代基；Y代表：Z代表：X和E代表O、S或NRa或NRb；a、b、c、d、e和f中的每一个都独立地表示0或1；a+c等于0、1或2；b+d等于0、1或2；a+b+c+d+e+f等于1、2或3；但当f为1时，则d为1，当d为0时，则f为0；当e和b都为0时，则R1和R2均不是氯或溴；v表示0或1，但当v为0时，则J为氢、金属离子或季铵离子，而X为O且G为H；G可以是氢、金属离子、季铵离子、低碳基或由药物活性化合物或其前体组成；或者X-G表示一个羰基活化基团；J是低碳基、芳基、杂环基、ω-羟基羧酸-(低碳基)、ω-(低烷氧基)羧酸-(低碳基)、ω-(X-G)-羧酸-(低碳基)基团，或由特定结合剂组成；Ra、Rb、R1、R2、R3、R4如说明书所定义。
• BENZO[k]FLUORANTHENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE CONTAINING THE SAME
  申请人：Ito Hirokatsu

  公开号：US20120211743A1

  公开（公告）日：2012-08-23

  A benzo[k]fluoranthene derivative represented by the following formula (1): wherein R 1 to R 12 are as defined in the specification. The benzo[k]fluoranthene derivative represented by the formula (1) reduces a driving voltage of an organic electroluminescence device and makes it possible to realize light emission with high efficiency and long lifetime.

  一种由下式（1）表示的苯并[k]芴衍生物：其中R1至R12如规范中所定义。由式（1）表示的苯并[k]芴衍生物降低了有机电致发光装置的驱动电压，使其能够实现高效率和长寿命的光发射。
• BENZO[K]FLUORANTHENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING SAME
  申请人：Idemitsu Kosan Co., Ltd.

  公开号：EP2626346A1

  公开（公告）日：2013-08-14

  A benzo[k]fluoranthene derivative represented by the following formula (1): wherein R1 to R12 are as defined in the specification. The benzo[k]fluoranthene derivative represented by the formula (1) reduces a driving voltage of an organic electroluminescence device and makes it possible to realize light emission with high efficiency and long lifetime.

  下式（1）所代表的苯并[k]荧蒽衍生物： 其中 R1 至 R12 如说明书中所定义。由式（1）表示的苯并[k]荧蒽衍生物可降低有机电致发光器件的驱动电压，实现高效率和长寿命发光。
• Thummel, Randolph P.; Lefoulon, Francois; Korp, James D., Inorganic Chemistry, 1987, vol. 26, # 15, p. 2370 - 2376
  作者：Thummel, Randolph P.、Lefoulon, Francois、Korp, James D.

  DOI：——

  日期：——

表征谱图