ethyl 2-cyano-2-(4-methylcyclohexylidene)acetate | 57093-77-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: ethyl 2-cyano-2-(4-methylcyclohexylidene)acetate
• 英文别名: cyano-(4-methyl-cyclohexylidene)-acetic acid ethyl ester；cyano(4-methylcyclohexylidene)acetic acid ethyl ester；cyano-(4-methyl-cyclohexyliden)-acetic acid ethyl ester；Cyan-(4-methyl-cyclohexyliden)-essigsaeure-aethylester
• CAS: 57093-77-3
• 化学式: C₁₂H₁₇NO₂
• 分子量: 207.272
• InChiKey: HLALOSZYLJPIEV-KHPPLWFESA-N

物化性质

• 沸点：
  165 °C(Press: 12 Torr)
• 密度：
  1.045±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.58
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  50.09
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  ethyl 2-cyano-2-(4-methylcyclohexylidene)acetate 在 盐酸 、 溶剂黄146 作用下， 以 乙醇 、 水 为溶剂， 反应 74.0h， 生成 1-(羧甲基)-4-甲基环己烷-1-羧酸
  参考文献：
  名称：

  Stereochemistry of 1,4-addition of nucleophiles to ethyl cyclohexylidenecyanoacetates

  摘要：

  DOI：

  10.1021/jo00136a004
• 作为产物：
  描述：

  4-甲基环己酮 、 氰乙酸乙酯 在 tetrahydridotris(triphenylphosphine)ruthenium(IV) 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以85%的产率得到ethyl 2-cyano-2-(4-methylcyclohexylidene)acetate
  参考文献：
  名称：

  经由Knoevenagel缩合反应的过渡金属多羟基化合物催化的活化腈向醛和酮的加成

  摘要：

  在中性和温和条件下，过渡金属多羟基化合物和二氢配合物催化氰基乙酸的氰基乙酸加成到醛和酮上，加合物脱水后仅得到取代的（E）-2-氰基-α，β-不饱和酯。

  DOI：

  10.1016/0022-328x(93)80087-r

文献信息

• Transition metal polyhydrides-catalyzed addition of activated nitriles to aldehydes and ketones via Knoevenagel condensation
  作者：Yingrui Lin、Xianchao Zhu、Min Xiang

  DOI：10.1016/0022-328x(93)80087-r

  日期：1993.4

  Transition metal polyhydrides and dihydrogen complexes catalyze Knoevenagel addition of cyanoacetate to aldehydes and ketones under neutral and mild conditions, the adducts undergo dehydration to give substituted (E)-2-cyano-α,β-unsaturated esters exclusively.

  在中性和温和条件下，过渡金属多羟基化合物和二氢配合物催化氰基乙酸的氰基乙酸加成到醛和酮上，加合物脱水后仅得到取代的（E）-2-氰基-α，β-不饱和酯。
• Evaluation of Various N-Substituted Azaspiranedione Derivatives as Potential Antimicrobial Agents
  作者：K.R. Scott、Poledi G. Kennedy、Murray Kemp、Vasant G. Telang、H.W. Matthews

  DOI：10.1002/jps.2600720222

  日期：1983.2

  A series of N-substituted hydrazines were condensed with various spiro[4.5] and [5.5] anhydrides and the resultant N-substituted azaspiranediones were evaluated for antimicrobial activity. None displayed any significant activity in a variety of organisms tested.

  将一系列的N-取代的肼与各种螺[4.5]和[5.5]酸酐缩合，并评估所得的N-取代的氮杂氮杂双阴离子的抗菌活性。在测试的各种生物中，没有一个显示出明显的活性。
• Union presence and executive compensation: An exploratory study
  作者：Parbudyal Singh、Naresh C. Agarwal

  DOI：10.1007/s12122-002-1032-4

  日期：2002.12

  While executive compensation has historically attracted considerable attention and controversy, this issue is becoming increasingly more contentious as organizations attempt to cut labor costs through reengineering and downsizing. Unions, governments, and workers are becoming critical of seemingly excessive executive compensation while employees are asked to make concessions. In fact, many labor organizations are specif-ically targeting executive compensation for criticisms: Witness their web sites tracking executive pay and numerous press releases and public statements. However, do unions, through their presence in a firm, affect executive compensation? While there is con-siderable research on the determinants and correlates of executive compensation, the literature is silent on the role of unions. We investigate the distinctive effects of union presence with data on a sample of Canadianbased metalmining firms. The differences between union and nonunion firms, as well as the unique effects of union presence, are analyzed and future research suggested.

  虽然高管薪酬历史上一直备受关注和争议，但随着组织通过重组和裁员试图降低劳动成本，这一问题变得愈发激烈。工会、政府和工人对看似过高的高管薪酬表示批评，而员工却被要求做出让步。事实上，许多工会组织正专门针对高管薪酬提出批评：请查看他们追踪高管薪酬的网站以及众多的新闻稿和公开声明。然而，工会在公司内的存在是否会影响高管薪酬？尽管有大量关于高管薪酬决定因素和相关性的研究，但文献中对工会角色的探讨却寂寂无声。我们利用加拿大的一些金属矿业公司数据，研究工会存在的独特影响。分析了有工会和无工会公司的差异，以及工会存在的独特效应，并提出了未来的研究建议。
• Stereochemical studies of alkyl methylcyclohexaneacetates with 13C NMR spectroscopy in relation to their attractiveness to the german cockroach.
  作者：Yoshiaki IIDA、Ryozo SUGAWARA

  DOI：10.1271/bbb1961.45.1553

  日期：——

  All positional isomers of methyl methylcyclohexaneacetates were prepared. Their diastereomeric pairs were separated from one another by preparative GLC. Either the cis or trans configuration was assigned to each of these GLC fractions on the basis of the chemical shift values of the ring methyl carbons in their 13C NMR spectra, which were found closely approximate to those of the corresponding dimethylcyclohexanes. The conformational compositions of the thermodynamically less stable diastereomers were determined using the chemical shift values of the axial and equatorial methyl carbons as parameters. The isomers of propyl methylcyclohexaneacetates for the biological test were separated similarly, and their configurations were determined by comparing the shift values of their ring methyl carbons with those of the methyl esters. The relative activity between the diastereomeric pairs was evaluated by a comparative trap test. The result was : cis-4-methyl isomer > trans-4-methyl isomer; trans-3-methyl isomer > cis-3-methyl isomer; and, trans-2-methyl isomer > cis-2-methyl isomer. The cis-4-methyl isomer exhibited activity comparable to that of the parent compound.

  所有的甲基甲基环己酸酯的空间异构体被合成出来。它们的非对映异构体对通过制备气相色谱分开。根据它们的13C NMR光谱中环甲基碳的化学位移值，分别将顺式或反式构型分配给这些气相色谱分馏，这些值与相应的二甲基环己烷的值非常接近。通过使用轴向和赤道甲基碳的化学位移值作为参数，确定了热力学上不太稳定的非对映异构体的构象组成。用于生物测试的丙基甲基环己酸酯异构体也以类似方式分开，并通过将其环甲基碳的位移值与甲基酯的值进行比较来确定其构型。通过比较捕获测试评估了非对映异构体对之间的相对活性。结果是：顺式-4-甲基异构体 > 反式-4-甲基异构体；反式-3-甲基异构体 > 顺式-3-甲基异构体；反式-2-甲基异构体 > 顺式-2-甲基异构体。顺式-4-甲基异构体展现出的活性与母体化合物相当。
• Nag, Ahindra; Sarkar, Ashis; Sarkar, Samir K., Synthetic Communications, 1987, vol. 17, # 8, p. 1007 - 1014
  作者：Nag, Ahindra、Sarkar, Ashis、Sarkar, Samir K.、Palit, Sunanda K.

  DOI：——

  日期：——