5-ethyl-2-imino-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl]methyl-1,3,4-thiadiazoline | 167005-94-9

• 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: 5-ethyl-2-imino-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl]methyl-1,3,4-thiadiazoline
• 英文别名: 2-Imino-5-ethyl-3-[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl-1,3,4-thiadiazoline；5-ethyl-2-imino-3-[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl-1,3,4-thiadiazoline；5-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3,4-thiadiazol-2-imine
• CAS: 167005-94-9
• 化学式: C₁₈H₁₇N₇S
• 分子量: 363.446
• InChiKey: BIMGHZAILWQGPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  119
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-ethyl-2-imino-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl]methyl-1,3,4-thiadiazoline 、 2-三氟甲基苯甲酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Quantitative structure-activity relationships of benzoyliminothiadiazoline derivatives as angiotensin II receptor antagonists

  摘要：

  Syntheses and biological activities of benzoyliminothiadiazoline derivatives which have potential affinities for angiotensin II receptor are described. The contributions of substituent (R(1)) on the benzene ring in benzoyl moiety and 5-position substituent (R(2)) on the 1,3,4-thiadiazoline ring were quantitatively investigated. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00026-7
• 作为产物：
  描述：

  2-Acetylimino-5-ethyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl]methyl-1,3,4-thiadiazoline 在 sodium hydroxide 作用下， 以 乙醇 、 异丙醚 为溶剂， 生成 5-ethyl-2-imino-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl]methyl-1,3,4-thiadiazoline
  参考文献：
  名称：

  Biphenylmethane derivatives and pharmaceuticals containing the same

  摘要：

  这项发明涉及一种由式（1）表示的联苯甲烷衍生物：##STR1##其中A代表一个基团##STR2##其中R.sup.1、X、Y、Z和B如规范中定义。这些化合物具有强大的抗肾素II拮抗活性和降压作用。它们在治疗循环系统疾病如高血压、心脏病和脑卒中方面具有治疗效用。

  公开号：

  US05654322A1

文献信息

• Process for producing N-biphenylmethylthiadiazoline derivative or salt
  申请人：Wakunaga Seiyaku Kabushiki Kaisha

  公开号：US05965738A1

  公开（公告）日：1999-10-12

  Described is a process for producing an N-biphenyl-methylthiadiazoline derivative (7) in accordance with the reaction formula described below. According to the process of the present invention, it is possible to produce a compound (7) advantageously from the industrial viewpoint. ##STR1##

  描述了根据下面描述的反应公式生产N-联苯基-甲基噻二唑啉衍生物（7）的过程。根据本发明的方法，可以从工业角度有利地生产化合物（7）。
• Process for producing tetrazolylated biphenylmethane derivatives
  申请人：Wakunaga Seiyaku Kabushiki Kaisha

  公开号：US05912353A1

  公开（公告）日：1999-06-15

  The present invention relates to a process for producing a tetrazolylated biphenylmethane derivatives (6) or salts thereof in accordance with the below-described reaction scheme wherein R.sup.1 represents an alkyl; R.sup.2 represents H, etc.; Z represents a halogen, etc.; and A represents a cycloalkene, etc. According to the above process, a tetrazolylated biphenylmethane derivative can be industrially and advantageously produced with short steps.

  本发明涉及一种生产四唑基联苯甲烷衍生物(6)或其盐的方法，符合以下所述的反应方案，其中R.sup.1代表烷基；R.sup.2代表H等；Z代表卤素等；A代表环烯烃等。根据上述方法，可以通过简短的步骤工业化地和有利地生产四唑基联苯甲烷衍生物。
• PROCESS FOR PRODUCING N-BIPHENYLMETHYLTHIADIAZOLINE DERIVATIVE OR SALT THEREOF AND INTERMEDIATE FOR PRODUCING THE SAME
  申请人：WAKUNAGA SEIYAKU KABUSHIKI KAISHA

  公开号：EP0782996A1

  公开（公告）日：1997-07-09

  Described is a process for producing an N-biphenylmethylthiadiazoline derivative (7) in accordance with the reaction formula described below. According to the process of the present invention, it is possible to produce a compound (7) advantageously from the industrial viewpoint.

  本发明描述了一种按照下述反应式生产 N-联苯基甲基噻二唑啉衍生物（7）的工艺。根据本发明的工艺，可以从工业角度生产出一种化合物（7）。
• PROCESS FOR PRODUCING TETRAZOLYLATED BIPHENYLMETHANE DERIVATIVES
  申请人：WAKUNAGA SEIYAKU KABUSHIKI KAISHA

  公开号：EP0842932A1

  公开（公告）日：1998-05-20

  The present invention relates to a process for producing a tetrazolylated biphenylmethane derivatives (6) or salts thereof in accordance with the below-described reaction scheme wherein R1 represents an alkyl; R2 represents H, etc.; Z represents a halogen, etc.; and A represents a cycloalkene, etc. According to the above process, a tetrazolylated biphenylmethane derivative can be industrially and advantageously produced with short steps.

  本发明涉及一种按照下述反应方案生产四唑基联苯甲烷衍生物（6）或其盐的工艺，其中 R1 代表烷基；R2 代表 H 等；Z 代表卤素等；A 代表环烯等。根据上述工艺，四唑基联苯甲烷衍生物可在短时间内工业化生产。
• NOVEL REAGENT FOR TETRAZOLE SYNTHESIS AND PROCESS FOR PRODUCING TETRAZOLES THEREWITH
  申请人：CHUGOKU KAYAKU KABUSHIKI KAISHA

  公开号：EP0838458A1

  公开（公告）日：1998-04-29

  Analkali metal azide and zinc chloride are used in combination as a tetrazole forming agent when producing 1H-tetrazoles of the formula (II): (where R is any substituent) from carbonitriles of the formula (I):         R-CN     (I) (where R has the same meaning as defined above). The tetrazole forming agent permits many kinds of solvents to be used and can in principle be used with any carbonitriles. In addition, the use of inexpensive zinc chloride leads to cost reduction.

  在生产式（II）的 1H 四唑时，碱金属叠氮化物和氯化锌可联合用作四唑形成剂： (其中 R 为任何取代基）： R-CN (I) (其中 R 的含义与上述定义相同）。四氮唑形成剂允许使用多种溶剂，原则上可用于任何腈类。此外，使用廉价的氯化锌可以降低成本。