1-异丙基肼甲腈 | 58605-87-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1-异丙基肼甲腈
• 英文名称: 1-isopropylhydrazine-1-carbonitrile
• 英文别名: 1-Cyano-1-isopropylhydrazin；1-cyano-1-isopropylhydrazine；1-isopropyl-1-cyanohydrazine；1-isopropylhydrazinecarbonitrile；amino(propan-2-yl)cyanamide
• CAS: 58605-87-1
• 化学式: C₄H₉N₃
• 分子量: 99.1356
• InChiKey: VRPHXQGTAUWCFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  53
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-异丙基肼甲腈 在 sodium azide 、 氯化铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以12%的产率得到5-(1-isopropylhydrazinyl)-1H-tetrazole
  参考文献：
  名称：

  [EN] METHODS OF TREATMENT WITH AMINOLEVULINIC ACID SYNTHASE 2 (ALAS2) MODULATORS
  [FR] MÉTHODE DE TRAITEMENT À L'AIDE DE MODULATEURS DE L'ACIDE AMINOLÉVULINIQUE SYNTHASE 2 (ALAS2)

  摘要：

  公开号：

  WO2020247819A3
• 作为产物：
  描述：

  异丙基肼盐酸盐 在 sodium hydroxide 作用下， 以90%的产率得到1-异丙基肼甲腈
  参考文献：
  名称：

  Process for the production of 1,2,4-triazole derivatives

  摘要：

  生产1-烷基-3-羟基-5-氯-1,2,4-三唑的过程中，将烷基肼在惰性溶剂中与氰氯在酸性结合剂的存在下反应，生成1-烷基-1-氰基肼，随后与光气发生环化反应。

  公开号：

  US03992398A1

文献信息

• Process for the production of 3-hydroxy-1,2,4-triazole derivatives
  申请人：Ciba-Geigy Corporation

  公开号：US04055572A1

  公开（公告）日：1977-10-25

  A process for the production of 3-hydroxy-1,2,4-triazole derivatives of formula I ##STR1## wherein R.sub.1 and R.sub.2 each represent a straight-chain or branched-chain alkyl group having 1 to 6 carbon atoms, or a cycloalkyl group having 3 to 6 carbon atoms, and X represents oxygen or sulphur, Which process comprises adding to a 1-alkyl-1-cyanohydrazine of formula II ##STR2## wherein R.sub.1 has the meaning given under formula I, a compound of formula III r.sub.2 -- xh (iii) wherein R.sub.2 and X have the meanings given under formula I; and subsequently cyclising the addition product by reaction with a compound of formula IV ##STR3## wherein R.sub.3 and R.sub.4 independently of one another represent chlorine or an alkoxy group having 1 to 4 carbon atoms. The 3-hydroxy-1,2,4-triazole derivatives are valuable intermediates for producing phosphoric acid esters which can be used as pesticidal agents, particularly as insecticides and nematicides.

  一种制备式I的3-羟基-1,2,4-三唑衍生物的方法，其中R1和R2分别表示具有1到6个碳原子的直链或支链烷基或具有3到6个碳原子的环烷基，X表示氧或硫，该方法包括向式II的1-烷基-1-氰基腙中加入式III的化合物R2-XH（III），其中R2和X具有式I中所给出的含义；随后通过与式IV的化合物反应将加合物环化，其中R3和R4各自独立地表示氯或具有1到4个碳原子的烷氧基。3-羟基-1,2,4-三唑衍生物是制备磷酸酯的有价值中间体，可以用作杀虫剂和线虫杀剂等农药剂的原料。
• Process for the production of
  申请人：Ciba-Geigy Corporation

  公开号：US04252965A1

  公开（公告）日：1981-02-24

  An improved process is provided for the production of 1-substituted-3-hydroxy-5-chloro-1,2,4-triazoles which involves reacting in dilute solution a 1-substituted-1-cyanohydrazine with phosgene in tetrahydrofuran as the specific inert solvent, treating the reaction mixture with anhydrous ammonia to form an ammonium salt of the 1,2,4-triazole, said ammonium salt being insoluble in tetrahydrofuran, and liberating from said isolated salt the 1,2,4-triazole in yields from about 85 to 92% of theory and in very pure state by treating said salt with an acid. The 1,2,4-triazoles are valuable intermediates in the manufacture of pesticides.

  提供了一种改进的工艺用于生产1-取代-3-羟基-5-氯-1,2,4-三唑，该工艺涉及在稀溶液中反应1-取代-1-氰基腙与光气在四氢呋喃中作为特定的惰性溶剂，用无水氨处理反应混合物以形成1,2,4-三唑的铵盐，所述铵盐在四氢呋喃中不溶，通过用酸处理所述隔离盐从中释放1,2,4-三唑，产率为理论收率的85％至92％，且为非常纯净状态。1,2,4-三唑是制造杀虫剂的有价值的中间体。
• Acyclic cyanamide-based inhibitors of cathepsin K
  作者：David G. Barrett、David N. Deaton、Anne M. Hassell、Robert B. McFadyen、Aaron B. Miller、Larry R. Miller、J. Alan Payne、Lisa M. Shewchuk、Derril H. Willard、Lois L. Wright

  DOI：10.1016/j.bmcl.2005.04.032

  日期：2005.6

  Conversion of the proline-derived cyanamide lead to an acyclic cyanamide capable of forming an additional hydrogen bond with cathepsin K resulted in a large increase in inhibitory activity. An X-ray structure of a co-crystal of a cyanamide with cathepsin K confirmed the enzyme interaction. Furthermore, a representative acyclic cyanamide inhibitor 6r was able to attenuate bone resorption in the rat calvarial model.
• [EN] METHODS OF TREATMENT WITH AMINOLEVULINIC ACID SYNTHASE 2 (ALAS2) MODULATORS<br/>[FR] MÉTHODE DE TRAITEMENT À L'AIDE DE MODULATEURS DE L'ACIDE AMINOLÉVULINIQUE SYNTHASE 2 (ALAS2)
  申请人：AGIOS PHARMACEUTICALS INC

  公开号：WO2020247819A3

  公开（公告）日：2021-02-25
• Process for the production of 1,2,4-triazole derivatives
  申请人：Ciba-Geigy Corporation

  公开号：US03992398A1

  公开（公告）日：1976-11-16

  Process for the production of 1-alkyl-3-hydroxy-5-chloro-1,2,4-triazoles wherein an alkylhydrazine is reacted in an inert solvent in the presence of an acid binding agent with cyanogen chloride to 1-alkyl-1-cyanohydrazine which is subsequently cyclized with phosgene.

  生产1-烷基-3-羟基-5-氯-1,2,4-三唑的过程中，将烷基肼在惰性溶剂中与氰氯在酸性结合剂的存在下反应，生成1-烷基-1-氰基肼，随后与光气发生环化反应。