Butyl 3-(2-aminoethylamino)propanoate | 1429053-16-6

• 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
• 英文名称: Butyl 3-(2-aminoethylamino)propanoate
• CAS: 1429053-16-6
• 化学式: C₉H₂₀N₂O₂
• 分子量: 188.27
• InChiKey: DHMOYCHYKLJGAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  13
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  丙烯酸丁酯 、 乙二胺 在 CLEA Pseudomonas stutzeri lipase (PSL) 作用下， 以 正己烷 为溶剂， 反应 72.0h， 生成 Butyl 3-[2-[(3-butoxy-3-oxopropyl)amino]ethylamino]propanoate 、 Butyl 3-(2-aminoethylamino)propanoate
  参考文献：
  名称：

  Lipase-Catalyzed Aza-Michael Reaction on Acrylate Derivatives

  摘要：

  A methodology has been developed for an efficient and selective lipase-catalyzed aza-Michael reaction of various amines (primary and secondary) with a series of acrylates and alkylacrylates. Reaction parameters were tuned, and under the optimal conditions it was found that Pseudomonas viscosum lipase and Chromobacterium viscosum lipase showed the highest selectivity for the aza-Michael addition to substituted alkyl acrylates. For the first time also, some CLEAs were examined that showed a comparable or higher selectivity and yield than the free enzymes and other formulations.

  DOI：

  10.1021/jo400268u

文献信息

• Salts of alkylenebisdithiocarbamic acid derivatives, processes for their preparation, fungicidal compositions containing them and methods of combating fungi
  申请人：TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD.

  公开号：EP0037861A1

  公开（公告）日：1981-10-21

  Salts of alkylenebisdithiocarbamic acid derivatives, processes for their preparation, fungicidal compositions containing tham and methods of combating fungi. Novel compounds are provided which exhibit activity as fungicides. The novel compounds are salts of an al- kylenebisdithiocarbomic acid of the formula: wherein X is alkylene group having 2 to 6 carbon atoms; Y and Y', which may be the same or different each represents (1) hydrogen except that both Y and Y' cannot be hydrogen; (2) (C6-C20)alkyl: (3) a grouo of the formula in which R is hydrogen or (C1-C6)alkyl, R, is hydrogen, (C1-C18)alkyl, (C2-C8)alkenyl, (C3-C6)alkynyl, phenyl or phenyl substituted with up to three of the same or different substituents selected from (C1-C4)alkyl and halo, and m is 0, 1 or 2 ; (4) a group of the formula where R2 is hydrogen, halo or (C1-C18)alkyl, n is 1 or 2. and p is 0, 1, 2 or 3; (5) a group of the formula where R is as above defined, R3 is hydrogen, hydroxy or (C,-C6)-alkyl and R4 is (C1-C18)alkyl, (C1-C6)alkylamino(C1-C6)-alkyl, di(C1-C6)alkylamino(C1-C6)alkyl, (C2-C8)alkenyl, (C3-C6)alkynyl, hydroxy(C1-C6)alkyl or a saltforming group or atom, and g is 0 or 1; (6) a group of the formula where R, R3 and q are as above defined; (7) a group of the formula -(CHR)q-CHR3CONH2 where R, R3 and q are as above defined; (8) a salt of a thio acid group of the formula where R, R3 and m are as above defined; (9) a group of the formula-CHR-CHR2SH-, or a metal salt thereof, where R and R2 are as above defined, or a -(CH2)2-NH2 or ,-(CH2)2-NH-(CH2)2-NH2 group with the proviso that only one of Y and Y' can be such an amino group, the other being a different organic substituent; (10) a group of the formula where R, R2 and m are as above defined; or (11) a group of the formula -(CHR)m-CH(OH)CCl3 where R and m are as above defined.

  烷基双二硫代氨基甲酸衍生物的盐、其制备工艺、含有它们的杀真菌组合物以及防治真菌的方法。 本研究提供了具有杀真菌活性的新型化合物。这些新型化合物是式中烯双二硫代氨基甲酸的盐类： 式中 X 是具有 2 至 6 个碳原子的亚烷基； Y和Y'可以相同或不同，各自代表 (1) 氢，但 Y 和 Y' 不能都是氢； (2) (C6-C20)烷基： (3) 式中的基团 其中 R 是氢或(C1-C6)烷基，R, 是氢、(C1-C18)烷基、(C2-C8)烯基、(C3-C6)炔基、苯基或被至多三个选自(C1-C4)烷基和卤代的相同或不同取代基取代的苯基，且 m 是 0、1 或 2； (4) 式中的基团 其中 R2 为氢、卤代或 (C1-C18) 烷基，n 为 1 或 2，p 为 0、1、2 或 3； (5) 式中的基团 其中 R 如上定义，R3 是氢、羟基或 (C，-C6)-烷基，R4 是 (C1-C18)烷基、(C1-C6)烷基氨基(C1-C6)-烷基、二(C1-C6)烷基氨基(C1-C6)烷基、(C2-C8)烯基、(C3-C6)炔基、羟基(C1-C6)烷基或成盐基团或原子，且 g 是 0 或 1； (6) 式中的基团 其中 R、R3 和 q 如上定义； (7) 式中 R、R3 和 q 如上定义的基团-(CHR)q-CHR3CONH2； (8) 式中 R、R3 和 m 如上定义的硫代酸基团的盐 式中 R、R3 和 m 如上定义； (9) 式中 R 和 R2 如上定义的-CHR-CHR2SH-基团或其金属盐，或-(CH2)2-NH2 或 ,-(CH2)2-NH-(CH2)2-NH2 基团，但 Y 和 Y'中只能有一个是这样的氨基，另一个是不同的有机取代基； (10) 式中的基团 其中 R、R2 和 m 如上定义；或 (11) 式中 R 和 m 如上定义的基团-(CHR)m-CH(OH)CCl3。
• US4315846A
  申请人：——

  公开号：US4315846A

  公开（公告）日：1982-02-16
• Lipase-Catalyzed Aza-Michael Reaction on Acrylate Derivatives
  作者：Peter Steunenberg、Maarten Sijm、Han Zuilhof、Johan P. M. Sanders、Elinor L. Scott、Maurice C. R. Franssen

  DOI：10.1021/jo400268u

  日期：2013.4.19

  A methodology has been developed for an efficient and selective lipase-catalyzed aza-Michael reaction of various amines (primary and secondary) with a series of acrylates and alkylacrylates. Reaction parameters were tuned, and under the optimal conditions it was found that Pseudomonas viscosum lipase and Chromobacterium viscosum lipase showed the highest selectivity for the aza-Michael addition to substituted alkyl acrylates. For the first time also, some CLEAs were examined that showed a comparable or higher selectivity and yield than the free enzymes and other formulations.