β-(tert.-butylamino)-crotonic acid ethyl ester | 52884-35-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: β-(tert.-butylamino)-crotonic acid ethyl ester
• 英文别名: β-(tert-butylamino)-crotonic acid ethyl ester；Z-3-tert-Butylaminocrotonsaeureethylester；ethyl (Z)-3-(tert-butylamino)but-2-enoate
• CAS: 52884-35-2
• 化学式: C₁₀H₁₉NO₂
• 分子量: 185.266
• InChiKey: SODPLIJDXNPNPH-FPLPWBNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  β-(tert.-butylamino)-crotonic acid ethyl ester 在 2H-Indol-2-one, 3-diazo-1,3-dihydro-5,7-dinitro- 作用下， 以 甲苯 为溶剂， 反应 1.5h， 以81%的产率得到4-carboethoxy-1-(1,1-dimethylethyl)-5-methyl-1H-1,2,3-triazole
  参考文献：
  名称：

  Preparation of Novel 1,2,3-Triazoles and a Comparative Study Involving Two Recent Methods for 1,2,3-Triazole Synthesis

  摘要：

  The syntheses of three novel 1,2,3-triazoles and a comparative study involving two recent methods of 1,2,3-triazole synthesis by diazo group transfers to enaminones, 5,7-dinitro-3-diazo-isatine and mesyl azide, are described. It was observed that the former is the more general and promising method for the synthesis of any 1,2,3-triazole but, when both methods work the mesyl azide one generally gives better yields.

  DOI：

  10.1081/scc-120027274
• 作为产物：
  描述：

  3-chlorocrotonic acid ethyl ester 、 叔丁胺 以 乙醇 为溶剂， 生成 β-(tert.-butylamino)-crotonic acid ethyl ester
  参考文献：
  名称：

  Chalchat,J.-C.; Theron,F., Bulletin de la Societe Chimique de France, 1973, p. 3361 - 3366

  摘要：

  DOI：

文献信息

• Synthesis and Reactivity of β-Amino α,β -Unsaturated Ketones and Esters Using K-10 Montmorillonite
  作者：Mara E. F. Braibante、Hugo S. Braibante、Lauri Missio、Adriano Andricopulo

  DOI：10.1055/s-1994-25595

  日期：——

  A series of β-amino α,β-unsaturated ketones 3a-f and esters 3g-l may be conveniently prepared by dispersing ammonia (NH4OH solution), primary amines and 1,3-diketones or 1,3-keto esters on K-10 montmorillonite without solvent. This procedure was also applicable to the reactions of 3a and 3g with phenyl isocyanate and phenyl isothiocyanate which afford selectively the C-adducts 4a-d.

  一系列β-氨基α,β-不饱和酮3a-f和酯3g-l可以通过无溶剂条件下在K-10蒙脱石上分散氨（NH4OH溶液）、伯胺和1,3-二酮或1,3-酮酯来方便地制备。该方法同样适用于3a和3g与苯基异氰酸酯和苯基异硫氰酸酯的反应，优先生成C-加成物4a-d。
• Experimental and theoretical study of the reactivity of primary and secondary enaminones toward diphenylketene. A comparison of AM1 and HAM/3 semiempirical methods
  作者：Marcos N. Eberlin、Yuji Takahata、Concetta Kascheres

  DOI：10.1021/jo00304a030

  日期：1990.8
• Quinone Diazides and Enaminones as a Source of New Azo Compounds with Potential Nonlinear Optical Properties
  作者：Luciana J. O. Figueiredo、Concetta Kascheres

  DOI：10.1021/jo9604907

  日期：1997.2.1
• US4027037A
  申请人：——

  公开号：US4027037A

  公开（公告）日：1977-05-31