氰基甲酰胺 | 4370-12-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 氰基甲酰胺
• 中文别名: 地芬诺酯EP杂质B
• 英文名称: 1-cyanoformamide
• 英文别名: cyanoformamide；carbamoyl cyanide
• CAS: 4370-12-1
• 化学式: C₂H₂N₂O
• mdl: MFCD19203425
• 分子量: 70.0507
• InChiKey: YDVJBLJCSLVMSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  氰基甲酰胺 在 ammonium hydroxide 、 硫化氢 作用下， 生成 Monothiooxamid
  参考文献：
  名称：

  The Preparation and Reactions of 1-Cyanoformamide

  摘要：

  DOI：

  10.1021/ja01519a060
• 作为产物：
  描述：

  氰 在 P acid 作用下， 以 水 为溶剂， 生成 氰基甲酰胺
  参考文献：
  名称：

  US2804471

  摘要：

  公开号：

文献信息

• 3-aminoalkyl-1H-indole-5-urea and amide derivatives
  申请人：McNeilab, Inc.

  公开号：US04803218A1

  公开（公告）日：1989-02-07

  Compounds useful as antihypertensive agents which are 3-aminoalkyl-1H-indole-5-urea or amide derivatives having the following formula: ##STR1## or a pharmaceutically acceptable acid addition salts thereof, wherein: R is C.sub.1-4 loweralkyl, C.sub.1-4 loweralkoxy, phenyl, ##STR2## pyrrolyl, pyridyl or is a substituted nitrogen represented by: ##STR3## wherein R.sub.1 is H or a C.sub.1-4 loweralkyl or phenyl or cycloalkyl; R.sub.2 is H or a C.sub.1-4 loweralkyl; Y is H or halo; R.sub.3 is H or a C.sub.1-4 loweralkyl; R.sub.4 is H or a C.sub.1-4 loweralkyl; R.sub.5 is H or a C.sub.1-4 loweralkyl or carboxymethyl or carboxytrifluoromethyl; R.sub.6 is H or a C.sub.1-4 loweralkyl, and R.sub.5 and R.sub.6 may also be taken together as an N-loweralkyl-pyrrolidinylidene group.

  用作抗高血压药物的化合物，其为3-氨基烷基-1H-吲哚-5-脲或酰胺衍生物，具有以下公式：##STR1##或其药用可接受的酸性加成盐，其中：R是C.sub.1-4低级烷基，C.sub.1-4低级烷氧基，苯基，##STR2##吡咯基，吡啶基或是由以下表示的取代氮：##STR3##其中R.sub.1是H或C.sub.1-4低级烷基或苯基或环烷基；R.sub.2是H或C.sub.1-4低级烷基；Y是H或卤素；R.sub.3是H或C.sub.1-4低级烷基；R.sub.4是H或C.sub.1-4低级烷基；R.sub.5是H或C.sub.1-4低级烷基或羧甲基或羧基三氟甲基；R.sub.6是H或C.sub.1-4低级烷基，且R.sub.5和R.sub.6也可以共同作为一个N-低级烷基-吡咯烷亚基。
• Benzopyran or thiobenzopyran derivatives
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：US06645951B1

  公开（公告）日：2003-11-11

  The present invention provides novel benzopyran compounds, pharmaceutically acceptable salts thereof and stereoisomers thereof where the benzopyran compounds of the invention are compounds according to Formula I: The present invention further provides pharmaceutical compositions which possess anti-estrogenic activity and comprise at least one benzopyran compound of the invention and a method of treating breast cancer by administration of an effective amount of a benzopyran compound provided by the present invention.

  本发明提供了新颖的苯并吡喃化合物，其药学上可接受的盐及其立体异构体，其中本发明的苯并吡喃化合物是根据式I的化合物：本发明还提供了具有抗雌激素活性的药物组合物，包括本发明的至少一种苯并吡喃化合物，并通过给予本发明提供的苯并吡喃化合物的有效量来治疗乳腺癌的方法。
• Synthesis and Solid-State Structures of Alkyl-Substituted 3-Cyano-2-pyridones
  作者：Christian B. Fischer、Kurt Polborn、Harald Steininger、Hendrik Zipse

  DOI：10.1515/znb-2004-1008

  日期：2004.10.1

  A series of 3-cyano-pyridones carrying a variety of alkyl substituents at C-5 and C-6 has been synthesized and their solid-state structures have been studied. Hydrogen bonding interactions between individual pyridone molecules lead either to the formation of symmetric dimers of the R² ₂ (8) type or to helical chains of the C(4) type. Based on known and calculated structures for the 2-pyridone parent system, the solid-state structures can be divided in two groups representing cases with little external influence on the hydrogen bonding array (group A) and those with a larger external influence (group B).

  一系列在C-5和C-6位置带有各种烷基取代基的3-氰基吡啶酮已经合成，并研究了它们的固态结构。单个吡啶酮分子之间的氢键相互作用会导致形成对称二聚体R²₂（8）型或螺旋链C（4）型。基于已知和计算得到的2-吡啶酮母体系统的结构，固态结构可以分为两组，代表对氢键阵列影响较小的情况（A组）和对氢键阵列有较大外部影响的情况（B组）。
• Synthesis of highly functionalized strained bicyclic dilactam derivatives
  作者：Vivek Panyam Muralidharan、Ramachandran Gunasekar、Sathiyanarayanan Kulathu Iyer

  DOI：10.1080/00397911.2018.1459719

  日期：2018.7.3

  ABSTRACT An efficient and modest protocol has been utilized for the synthesis of bicyclic dilactam derivatives through one-pot multicomponent domino reaction starting from various cyclic ketones under mild condition. The synthesized motif shows four stereogenic centers with two quaternary amine functionalities and such molecular arrangements are very fascinating and rare to obtain. We propose a mechanism

  摘要 在温和的条件下，从各种环酮开始，通过一锅多组分多米诺反应合成双环双内酰胺衍生物，这是一种有效而温和的方案。合成的基序显示了具有两个季胺官能团的四个立体中心，这种分子排列非常吸引人，而且很难获得。我们提出了一种通过羟醛缩合/氰基乙酰胺缩合/缩合中间体环化形成双环双内酰胺的机制。图形概要
• Compounds and methods for the treatment of prevention of flavivirus infections
  申请人：Shire BioChem Inc.

  公开号：US20030199503A1

  公开（公告）日：2003-10-23

  The present invention provides novel compounds represented by formula I: 1 or pharmaceutically acceptable salts thereof useful for treating flaviviridae viral infection.

  本发明提供了一种新型化合物，其表示为公式I：1或其药学上可接受的盐，用于治疗黄病毒科病毒感染。