2-氰基-己酸酰胺 | 89851-67-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-氰基-己酸酰胺
• 英文名称: 2-(n-Butyl)cyanoacetamide
• 英文别名: 2-Cyan-hexansaeure-amid；2-Butyl-cyanacetamid；2-cyano-hexanoic acid amide；2-Cyanohexanamide
• CAS: 89851-67-2
• 化学式: C₇H₁₂N₂O
• mdl: MFCD19203551
• 分子量: 140.185
• InChiKey: MVBPEEDHRGVICS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  66.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-氰基-己酸酰胺 在 五氯化磷 、 potassium tert-butylate 作用下， 以 1,4-二氧六环 、 叔丁醇 为溶剂， 生成 Butyl-<2-cyan-aethyl>-malonsaeuredinitril
  参考文献：
  名称：

  Schmidt,U.; Kubitzek,H., Chemische Berichte, 1960, vol. 93, p. 866 - 872

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氨 作用下， 生成 2-氰基-己酸酰胺
  参考文献：
  名称：

  Hessler; Henderson, Journal of the American Chemical Society, 1921, vol. 43, p. 675

  摘要：

  DOI：

文献信息

• 3,5-Diaminopyrazoles and 1,3,4-Oxadiazoles From Cyanoacetothioimidates
  作者：Masataka Yokoyama、Kenzi Sato

  DOI：10.1055/s-1988-27719

  日期：——

  2-Substituted 3-amino-3-(methylthio)acrylonitriles cyanoketene S,N-acetals are synthesized by two convenient methods. The imino esters of their hydrochloride salts are found to be good starting materials for the synthesis of 4-substituted 3,5-diaminopyrazoles and 2,5-disubstituted 1,3,4-oxadiazoles.

  通过两种简便的方法合成了 2-取代的 3-氨基-3-(甲硫基)丙烯腈 S,N-乙缩醛。 发现其盐酸盐的亚氨基酯是合成 4-取代的 3,5-二氨基吡唑和 2,5-二取代的 1,3,4-恶二唑的良好起始材料。
• 3-Carbamoyl-2-Pyridone Derivative
  申请人：Ishizuka Natsuki

  公开号：US20080103139A1

  公开（公告）日：2008-05-01

  The present invention provides compounds having an agonistic activity to the cannabinoid receptor, which is represented by the formula (I): wherein R 1 is optionally substituted C1-C8 alkyl and the like; R 2 is C1-C6 alkyl; R 3 is C1-C6 alkyl and the like; or R 2 and R 3 taken together with may form an optionally substituted 5 to 10 membered non-aromatic carbon ring; R 4 is hydrogen and the like; G is a group selected from the groups shown by the formula an the like: wherein R 5 is hydrogen and the like; X 1 is a single bond and the like; X 2 is optionally substituted C1-C8 alkylene that may be replaced by one or two groups of —O—, or —N(R 6 )—, wherein R 6 is hydrogen and the like, and the like; X 3 is a single bond and the like; a pharmaceutically acceptable salt or a solvate thereof, and pharmaceutical compositions, atopic dermatitis treating agents, and anti-pruritus agents, especially anti-pruritus agents for oral used and for external application, which each contains the said compound as an active ingredient.

  本发明提供了具有激动大麻素受体的作用的化合物，其由式（I）表示：其中，R1是可选取的取代的C1-C8烷基等；R2是C1-C6烷基；R3是C1-C6烷基等；或R2和R3共同形成可选取代的5至10个成员的非芳香碳环；R4是氢等；G是由式等所示的基团中选取的基团：其中，R5是氢等；X1是单键等；X2是可选取代的C1-C8烷基，可以被一或两个-O-或-N（R6）-的基团替代，其中R6是氢等；X3是单键等；其药学上可接受的盐或其溶剂，以及制药组合物、治疗特应性皮炎的制剂和抗瘙痒剂，特别是口服和外用的抗瘙痒剂，每种制剂均以所述化合物为活性成分。
• 3-CARBAMOYL-2-PYRIDONE DERIVATIVES
  申请人：ISHIZUKA Natsuki

  公开号：US20120208813A1

  公开（公告）日：2012-08-16

  The present invention provides compounds having an agonistic activity to the cannabinoid receptor, which is represented by the formula (I): wherein R 1 , R 2 , R 3 , R 4 , and G are defined as herein, a pharmaceutically acceptable salt or a solvate thereof, and pharmaceutical compositions, atopic dermatitis treating agents, and anti-pruritus agents, especially anti-pruritus agents for oral used and for external application, which each contains the said compound as an active ingredient.

  本发明提供了具有激动大麻素受体的活性的化合物，该受体由公式（I）表示：其中R1、R2、R3、R4和G如本文所定义，其药学上可接受的盐或溶剂，以及制备该化合物为活性成分的药物组合物、治疗特应性皮炎的药剂和抗瘙痒剂，尤其是用于口服和外用的抗瘙痒剂。
• Process for producing flexible polyurethane foam
  申请人：AIR PRODUCTS AND CHEMICALS, INC.

  公开号：EP2738192A1

  公开（公告）日：2014-06-04

  A composition and process useful to make flexible polyurethane foams and in particular flexible molded polyurethane foams is disclosed. The usage of dipolar aprotic liquids such as DMSO, DMI, sulfolane, N-methyl-acetoacetamide, N, N-dimethylacetoacetamide as well as glycols containing hydroxyl numbers OH# ≤ 1100 as cell opening aides for 2-cyanoacetamide or other similar molecules containing active methylene or methine groups to make a polyurethane foam is also disclosed. The advantage of using cell opener aids results in a) no foam shrinkage; b) lower use levels of cell opener; c) foam performance reproducibility d) optimum physical properties. In addition, combining the acid blocked amine catalyst together with the cell opener and the cell opener aid results in a less corrosive mixture as well as provides a method that does not require mechanical crushing for cell opening.

  本发明公开了一种用于制造软质聚氨酯泡沫，特别是软质模塑聚氨酯泡沫的组合物和工艺。本发明还公开了使用二极性烷基液体，如二甲基亚砜、二甲基亚砜、N-甲基乙酰乙酰胺、N, N-二甲基乙酰乙酰胺以及含有羟基数 OH# ≤ 1100 的乙二醇作为 2-氰基乙酰胺或其他含有活性亚甲基或甲基的类似分子的开孔助剂来制造聚氨酯泡沫。使用开孔助剂的优点是：a) 泡沫不会收缩；b) 开孔剂用量较少；c) 泡沫性能可再现；d) 物理性能最佳。此外，将酸性封端胺催化剂与开孔剂和开孔助剂结合在一起，可产生腐蚀性较低的混合物，并提供了一种无需机械破碎即可开孔的方法。
• Process for producing flexible polyurethane foam using natural oil polyols
  申请人：EVONIK DEGUSSA GMBH

  公开号：US10023678B2

  公开（公告）日：2018-07-17

  A composition and process useful to make flexible polyurethane foams and in particular flexible molded polyurethane foams is disclosed. The usage of dipolar aprotic liquids such as DMSO, DMI, sulfolane, N-methyl-acetoacetamide, N, N-dimethylacetoacetamide as well as glycols containing hydroxyl numbers OH#≤1100 as cell opening aides for 2-cyanoacetamide or other similar molecules containing active methylene or methine groups to make a polyurethane foam is also disclosed. The advantage of using cell opener aids results in a) no foam shrinkage; b) lower use levels of cell opener; c) foam performance reproducibility d) optimum physical properties. In addition, combining the acid blocked amine catalyst together with the cell opener and the cell opener aid results in a less corrosive mixture as well as provides a method that does not require mechanical crushing for cell opening.

  本发明公开了一种用于制造软质聚氨酯泡沫，特别是软质模塑聚氨酯泡沫的组合物和工艺。本发明还公开了使用二极性烷基液体，如二甲基亚砜、二甲基亚砜、N-甲基乙酰乙酰胺、N, N-二甲基乙酰乙酰胺以及含有羟基数 OH#≤1100 的乙二醇作为 2-氰基乙酰胺或其他含有活性亚甲基或甲基的类似分子的开孔助剂来制造聚氨酯泡沫。使用开孔助剂的优点是：a) 泡沫不会收缩；b) 开孔剂用量较少；c) 泡沫性能可再现；d) 物理性能最佳。此外，将酸性封端胺催化剂与开孔剂和开孔助剂结合在一起，可产生腐蚀性较低的混合物，并提供了一种无需机械破碎即可开孔的方法。