tert-butyl (tert-butoxycarbonyl)(4-cyanophenyl)carbamate

• 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: tert-butyl (tert-butoxycarbonyl)(4-cyanophenyl)carbamate
• 英文别名: di-tert-butyl (4-cyanophenyl)iminodicarbonate；tert-butyl N-(4-cyanophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• 化学式: C₁₇H₂₂N₂O₄
• 分子量: 318.373
• InChiKey: IDKKQEIWJIXAMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  79.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl (tert-butoxycarbonyl)(4-cyanophenyl)carbamate 在 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 生成 4-氰基苯基氨基甲酸叔丁酯
  参考文献：
  名称：

  Environmentally friendly and efficient: iron-mediated reduction of 3-methyl-5-aryl-1,2,4-oxadiazoles to benzamidines

  摘要：

  A new synthetic method is described for the mild and selective reduction of 3-methyl-5-aryl-1,2,4-oxadiazoles to amidines employing iron powder in aqueous medium. Its application is demonstrated in the synthesis of 1, a potent and selective urokinase-type plasminogen activator (uPA) inhibitor. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2003.09.139
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 对氨基苯腈 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以82%的产率得到tert-butyl (tert-butoxycarbonyl)(4-cyanophenyl)carbamate
  参考文献：
  名称：

  [EN] NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI
  [FR] NOUVEAUX COMPOSÉS D'OXADIAZOLE POUR LA LUTTE OU LA PRÉVENTION CONTRE DES CHAMPIGNONS PHYTOPATHOGÈNES

  摘要：

  本发明公开了一种化合物的结构式(I)，其中，R1、L1、A、k、L2、W、L4、R5、R8和R9的定义如详细描述中所述。本发明还公开了一种制备结构式(I)化合物的方法。

  公开号：

  WO2020208509A1

文献信息

• [EN] NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI<br/>[FR] NOUVEAUX COMPOSÉS D'OXADIAZOLE POUR LA LUTTE OU LA PRÉVENTION CONTRE DES CHAMPIGNONS PHYTOPATHOGÈNES
  申请人：PI INDUSTRIES LTD

  公开号：WO2020208509A1

  公开（公告）日：2020-10-15

  The present invention discloses a compound of formula (I), wherein, R1, L1,A, k, L2, W, L4, R5, R8 and R9 are as defined in the detailed description. The present invention further discloses a process for preparing the compound of formula (I).

  本发明公开了一种化合物的结构式(I)，其中，R1、L1、A、k、L2、W、L4、R5、R8和R9的定义如详细描述中所述。本发明还公开了一种制备结构式(I)化合物的方法。
• Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade
  申请人：Pharmacia Corporation

  公开号：US20040082585A1

  公开（公告）日：2004-04-29

  The present invention relates to prodrug compounds, compositions and methods useful for preventing and treating thrombotic conditions in mammals. The prodrug compounds of the present invention selectively inhibit certain proteases of the coagulation cascade.

  本发明涉及一种用于预防和治疗哺乳动物血栓性疾病的前药化合物、组合物和方法。本发明的前药化合物选择性地抑制凝血级联反应中的某些蛋白酶。
• PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE
  申请人：Pharmacia Corporation

  公开号：EP1482940A2

  公开（公告）日：2004-12-08
• [EN] PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE<br/>[FR] PROMEDICAMENTS DE COMPOSES POLYCYCLIQUES SUBSTITUES UTILES POUR L'INHIBITION SELECTIVE DE LA CASCADE DE LA COAGULATION
  申请人：PHARMACIA CORP

  公开号：WO2003028729A2

  公开（公告）日：2003-04-10

  The present invention relates to prodrug compounds, comprising a 5- or 6- membered heterocyclic or aromatic ring substituted with a derivatized amidine, as well as compositions and methods useful for preventing and treating thrombotic conditions in mammals. The prodrug compounds of the present invention selectively inhibit certain proteases of the coagulation cascade.
• Environmentally friendly and efficient: iron-mediated reduction of 3-methyl-5-aryl-1,2,4-oxadiazoles to benzamidines
  作者：Martin Sendzik、Hon C Hui

  DOI：10.1016/j.tetlet.2003.09.139

  日期：2003.11

  A new synthetic method is described for the mild and selective reduction of 3-methyl-5-aryl-1,2,4-oxadiazoles to amidines employing iron powder in aqueous medium. Its application is demonstrated in the synthesis of 1, a potent and selective urokinase-type plasminogen activator (uPA) inhibitor. (C) 2003 Published by Elsevier Ltd.