氰基乙酸癸酯 | 17686-43-0

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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: 氰基乙酸癸酯
• 英文名称: decyl cyanoacetate
• 英文别名: Cyanessigsaeure-decylester；decyl 2-cyanoacetate
• CAS: 17686-43-0
• 化学式: C₁₃H₂₃NO₂
• 分子量: 225.331
• InChiKey: FEPOSCQQECTWHH-UHFFFAOYSA-N

物化性质

• 保留指数：
  1748

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  16
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  氰基乙酸癸酯 在 乙酸酐 作用下， 生成 (Z)-3-Butylamino-2-cyano-acrylic acid decyl ester
  参考文献：
  名称：

  Phillips, John N.; Huppatz, John L., Agricultural and Biological Chemistry, 1984, vol. 48, # 1, p. 51 - 54

  摘要：

  DOI：
• 作为产物：
  描述：

  癸醇 、 氰乙酸乙酯 在 potassium fluoride 作用下， 生成 氰基乙酸癸酯
  参考文献：
  名称：

  Polyakova,A.M. et al., Journal of Organic Chemistry USSR (English Translation), 1967, vol. 3, p. 1168 - 1169

  摘要：

  DOI：

文献信息

• Palladium-Catalyzed Direct Arylation of C(sp³)–H Bonds of α-Cyano Aliphatic Amides
  作者：M. Damoder Reddy、E. Blake Watkins

  DOI：10.1021/acs.joc.5b02138

  日期：2015.11.20

  Pd(OAc)2-catalyzed arylation of C(sp3)–H bonds in α-cyano-α-methyl aliphatic amides is achieved in the presence of 8-aminoquinoline, as a removable directing group, using Mn(OAc)2 and Na2CO3. The current strategy enables the placement of an aryl/heteroaryl group at the β-position of α-cyano aliphatic acids for the first time. Wide functional group tolerance and easily accessible starting materials

  Pd（OAc）2催化的α-氰基-α-甲基脂肪族酰胺中C（sp 3）-H键的芳基化反应是通过使用Mn（OAc）2和8-氨基喹啉作为可移动的导向基团而实现的。 Na 2 CO 3。当前的策略使得首次能够将芳基/杂芳基基团放置在α-氰基脂族酸的β-位置。宽泛的官能团耐受性和易于获得的起始原料为芳基化的α-氰基酰胺的合成提供了有效的方案。此外，通过将它们有效转化为医学上重要的α，α-二烷基化酸和β-氨基酸衍生物，证明了产物的合成用途。
• Higher alkyl esters of cyanoacetic acid
  申请人：Creanova Inc.

  公开号：US06271410B1

  公开（公告）日：2001-08-07

  C3-12 alkyl, substituted alkyl, alkenyl and cycloalkyl cyanoacetates are prepared by an efficient and simplified one-step process in which a small molar excess of the corresponding alcohol, i.e., C3-12 alkyl, substituted alkyl, alkenyl or cycloalkenyl alcohol is reacted with crystalline cyanoacetic acid, or a concentrated aqueous solution of cyanoacetic acid, in the presence of an acid catalyst, such as, for example, methanesulfonic acid, p-toluenesulfonic acid, sulfuric acid and phosphoric acid at a temperature in the range of from about 60° C. to about 150° C., in accordance with the following reaction: CNCH2COOH+R—OH→(cat)CNCH2COOR+H2O  (I) where R is a C3-12 alkyl, substituted alkyl, alkenyl or cycloalkyl.

  C3-12烷基，取代烷基，烯基和环烷基的氰乙酸酯可以通过高效而简化的一步法制备，其中与结晶的氰乙酸或浓缩的氰乙酸水溶液在酸催化剂（例如甲磺酸，对甲苯磺酸，硫酸和磷酸）的存在下反应，反应温度在约60℃至约150℃的范围内，反应方程式如下: CNCH2COOH + R-OH →（催化剂）CNCH2COOR + H2O（I），其中R是C3-12烷基，取代烷基，烯基或环烷基。
• Conjugated Thiophenes Having Conducting Properties and Synthesis of Same
  申请人：Skene G. William

  公开号：US20070287842A1

  公开（公告）日：2007-12-13

  The present invention relates to conjugated oligomers and polymers comprising aromatic thiophene cores. The conjugated materials are obtained by simple and efficient condensation of an aryl diamine and an aryl dialdehyde or a bifunctional aryl moiety comprising both an aldehyde and an amine. Condensation of the complementary moieties at temperatures ranging from ambient to refluxing temperatures in various solvents resulted in conjugated oligomers and polymers that can subsequently be cast into thin films. Oligomerization and polymerization can be done under mild conditions with removal of the resulting water bi-product responsible for shifting the equilibrium in favour of the conjugated products. The resulting conjugated compounds can be made conducting with dopants affording electrically conducting materials of either p-type or n-type conductors depending on the dopant selected.

  本发明涉及含有芳香硫吡咯核的共轭寡聚物和聚合物。这些共轭材料是通过芳香族二胺和芳香族二醛或具有同时含有醛和胺的双官能团芳香族基团的简单而有效的缩合反应获得的。在各种溶剂中，在从常温到沸点温度的温度范围内缩合互补的官能团，得到了可以随后铸造成薄膜的共轭寡聚物和聚合物。在温和的条件下进行寡聚和聚合，去除产生的水副产物，有利于使平衡向共轭产物方向移动。所得的共轭化合物可以通过掺杂制成导电材料，根据所选择的掺杂剂，可以得到p型或n型导体的电导材料。
• CONJUGATED THIOPHENES HAVING CONDUCTING PROPERTIES AND SYNTHESIS OF SAME
  申请人：Skene William G.

  公开号：US20120004386A1

  公开（公告）日：2012-01-05

  The present invention relates to conjugated oligomers and polymers comprising aromatic thiophene cores. The conjugated materials are obtained by simple and efficient condensation of an aryl diamine and an aryl dialdehyde or a bifunctional aryl moiety comprising both an aldehyde and an amine. Condensation of the complementary moieties at temperatures ranging from ambient to refluxing temperatures in various solvents resulted in conjugated oligomers and polymers that can subsequently be cast into thin films. Oligomerization and polymerization can be done under mild conditions with removal of the resulting water bi-product responsible for shifting the equilibrium in favour of the conjugated products. The resulting conjugated compounds can be made conducting with dopants affording electrically conducting materials of either p-type or n-type conductors depending on the dopant selected.

  本发明涉及含有芳香硫杂苯核的共轭寡聚物和聚合物。这些共轭材料是通过芳香族二胺和芳香族二醛或含有醛和胺的双官能团芳香族基团的简单高效缩合反应得到的。在各种溶剂中，将互补的官能团在环境温度到沸腾温度范围内缩合，得到共轭寡聚物和聚合物，随后可以将其铸造成薄膜。在温和的条件下进行寡聚和聚合反应，通过去除生成的水分子，使平衡向共轭产物倾斜。所得的共轭化合物可以通过掺杂剂使其导电，从而获得p型或n型导体的电导材料。
• Conjugated thiophenes having conducting properties and synthesis of same
  申请人：Université de Montréal

  公开号：US08034895B2

  公开（公告）日：2011-10-11

  The present invention relates to conjugated oligomers and polymers comprising aromatic thiophene cores. The conjugated materials are obtained by simple and efficient condensation of an aryl diamine and an aryl dialdehyde or a bifunctional aryl moiety comprising both an aldehyde and an amine. Condensation of the complementary moieties at temperatures ranging from ambient to refluxing temperatures in various solvents resulted in conjugated oligomers and polymers that can subsequently be cast into thin films. Oligomerization and polymerization can be done under mild conditions with removal of the resulting water bi-product responsible for shifting the equilibrium in favor of the conjugated products. The resulting conjugated compounds can be made conducting with dopants affording electrically conducting materials of either p-type or n-type conductors depending on the dopant selected.

  本发明涉及含芳香硫吡咯核的共轭寡聚体和聚合物。这些共轭材料是通过芳香族二胺和芳香族二醛或含有醛和胺的双功能芳香族基团的简单高效缩合反应得到的。在各种溶剂中，在从室温到沸点温度的温度下，互补基团的缩合反应结果形成了共轭寡聚体和聚合物，随后可以将其铸造成薄膜。在温和的条件下进行寡聚和聚合反应，并通过去除产生的水副产物来促进共轭产物的生成。所得到的共轭化合物可以通过掺杂剂进行导电，从而获得p型或n型导体的电导材料。