m-iodophenylmalononitrile | 330795-88-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: m-iodophenylmalononitrile
• 英文别名: 2-(3-Iodophenyl)propanedinitrile
• CAS: 330795-88-5
• 化学式: C₉H₅IN₂
• 分子量: 268.057
• InChiKey: IHRPZAAUUHWGDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  m-iodophenylmalononitrile 在 四(三苯基膦)钯 、 三乙胺 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 6.0h， 生成 (3-([2,2'-bi(1,3-dithiolylidene)]-4-yl)phenyl)dicyanomethanide
  参考文献：
  名称：

  Generation and Amphoteric Redox Properties of Novel Neutral Radicals with the TTF-TCNQ Hybrid Structure1

  摘要：

  One electron oxidation of 4-(2-tetrathiafulvalenyl)phenyl substituted dicyanomethylides (1-) gave black solids of the title radicals (1(.)). They exhibit quite high electrochemical amphotericity, which may be responsible for their good electrical conductivities (sigma = ca. 10(-7) S cm(-1)) as a single component. Isomeric radicals (2(.)) with a m-phenylene spacer could not be obtained under the similar conditions probably due to insufficient delocalization of the unpaired electron.

  DOI：

  10.3987/com-00-s(i)60
• 作为产物：
  描述：

  1,3-二碘苯 、 丙二腈 在 sodium hydride 、 bis-triphenylphosphine-palladium(II) chloride 作用下， 以 四氢呋喃 为溶剂， 反应 34.5h， 以25%的产率得到m-iodophenylmalononitrile
  参考文献：
  名称：

  Generation and Amphoteric Redox Properties of Novel Neutral Radicals with the TTF-TCNQ Hybrid Structure1

  摘要：

  One electron oxidation of 4-(2-tetrathiafulvalenyl)phenyl substituted dicyanomethylides (1-) gave black solids of the title radicals (1(.)). They exhibit quite high electrochemical amphotericity, which may be responsible for their good electrical conductivities (sigma = ca. 10(-7) S cm(-1)) as a single component. Isomeric radicals (2(.)) with a m-phenylene spacer could not be obtained under the similar conditions probably due to insufficient delocalization of the unpaired electron.

  DOI：

  10.3987/com-00-s(i)60

文献信息

• 2-substituted benzothiazole derivatives useful in the treatment of diabetic complications
  申请人：GRELAN PHARMACEUTICAL CO., LTD.

  公开号：EP0714893A1

  公开（公告）日：1996-06-05

  Unique benzothiazole derivatives which exert superior aldose redactase inhibiting actions are unexpectedly and advantageously useful in the prophylactic and therapeutic treatment of diabetic complications. A benzothiazole derivative compound of the formula (1): wherein X is halogen, R¹ and R², which are the same or different, are each independently hydrogen or halogen, A is a methylene group or a sulfur atom, and -B-COOR³ is a group selected from the group consisting of (2) to (5): wherein R³ is hydrogen or C1 to C3 lower alkyl, Y is hydrogen, halogen, C1 to C3 lower alkyl, carboxyl or dilower alkylamino and n is an integer of 1 to 3; Z is oxygen or sulfur, R⁴ is C1 to C3 lower alkyl, optionally substituted phenyl, optionally substituted benzyl or optionally substituted phenethyl and m is an integer of 2 to 5; or a pharmaceutically acceptable salt and a pharmaceutical composition comprising the same which is a useful prophylactic or therapeutic agent for the treatment of diabetic complications.

  独特的苯并噻唑衍生物具有优异的醛糖还原酶抑制作用，在预防和治疗糖尿病并发症方面具有意想不到的优势。一种式（1）的苯并噻唑衍生物化合物： 其中 X 是卤素，R¹ 和 R²（相同或不同）各自独立地为氢或卤素，A 是亚甲基或硫原子，以及 -B-COOR³ 是选自 (2) 至 (5) 所组成的基团： 其中 R³ 是氢或 C1 至 C3 低级烷基，Y 是氢、卤素、C1 至 C3 低级烷基、羧基或稀释烷基氨基，n 是 1 至 3 的整数；Z 是氧或硫，R⁴ 是 C1 至 C3 低级烷基、任选取代的苯基、任选取代的苄基或任选取代的苯乙基，m 是 2 至 5 的整数；或一种药学上可接受的盐和由其组成的药物组合物，该药物组合物是治疗糖尿病并发症的有效预防或治疗剂。
• US5700819A
  申请人：——

  公开号：US5700819A

  公开（公告）日：1997-12-23