(E)-2,4-dimethylhepta-2,6-dienal | 80192-48-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (E)-2,4-dimethylhepta-2,6-dienal
• 英文别名: 2,6-Heptadienal, 2,4-dimethyl-, (2E)-；(2E)-2,4-dimethylhepta-2,6-dienal
• CAS: 80192-48-9
• 化学式: C₉H₁₄O
• 分子量: 138.21
• InChiKey: MIHSPYMZXYONJN-RMKNXTFCSA-N

物化性质

• 沸点：
  193.4±0.0 °C(Predicted)
• 密度：
  0.846±0.06 g/cm3(Predicted)
• LogP：
  2.553 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (E)-2,4-dimethylhepta-2,6-dienal 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 2,4-dimethyl-2,6-heptandienol
  参考文献：
  名称：

  吲哚硼酸酯中分子内烷基迁移过程在分子内环化中的合成应用：咔唑衍生物的新型结构

  摘要：

  吲哚硼酸酯中的分子内烷基迁移反应是通过分子内环化反应一锅构建咔唑而开发的，其中π-烯丙基铝配合物被成功地用作吲哚亲核体的受体。

  DOI：

  10.1016/s0040-4020(02)01293-0

文献信息

• Halogen substituted metallocene compounds for olefin polymerization
  申请人：Voskoboynikov Z. Alexander

  公开号：US20070135594A1

  公开（公告）日：2007-06-14

  A metallocene compound is represented by the formula (1): AMX n-1 wherein M is a transition metal atom having a coordination number of n selected from Group 3, 4, 5 or 6 of the Periodic Table of Elements, or a lanthanide metal atom, or actinide metal atom; A is a substituted monocyclic or polycyclic arenyl ligand pi-bonded to M, wherein said arenyl ligand includes at least one halogen substituent directly bonded to any sp 2 carbon atom at a bondable ring position of the ligand; and the or each X is a univalent anionic ligand, or two X are joined and bound to the metal atom to form a metallocycle ring, or two X are joined to form a chelating ligand, a diene ligand, or an alkylidene ligand.

  一种金属烯化合物可以用公式(1)表示： AMX n-1 其中，M是具有配位数n的过渡金属原子，选自元素周期表第3、4、5或6族，或为镧系金属原子，或锕系金属原子；A是与M以π键结合的取代的单环或多元环芳基配体，其中所述芳基配体包括至少一个直接键合到配体的可键合环位上的任意sp2碳原子上的卤素取代基；而X是单价阴离子配体，或者两个X连接并与金属原子结合形成一个金属环烯环，或者两个X连接形成一个螯合配体、二烯配体或烷基亚烯配体。
• [EN] TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION<br/>[FR] COMPOSES METALLIQUES DE TRANSITION POUR LA POLYMERISATION D'OLEFINES ET L'OLIGOMERISATION
  申请人：EXXONMOBIL CHEM PATENTS INC

  公开号：WO2005118605A1

  公开（公告）日：2005-12-15

  This invention relates to new transition metal catalyst compounds represented by the formula (I): where: M and M' are, independently, a group 8, 9, 10 or 11 transition metal, preferably Ni, Co, Pd, Cu or Fe; each R group is, independently, is, hydrogen, or a hydrocarbyl, substituted hydrocarbyl, halocarbyl, substituted halocarbyl, silylcarbyl, substituted silylcarbyl, germylcarbyl, or substituted germylcarbyl substituents, and optionally, adjacent R groups may join together to form a substituted or unsubstituted, saturated, partially unsaturated, or aromatic cyclic or polycyclic substituent; R' is hydrogen, or a hydrocarbyl, substituted hydrocarbyl, halocarbyl, substituted halocarbyl, silylcarbyl, substituted silylcarbyl, germylcarbyl, or substituted germylcarbyl substituents, and optionally, adjacent R groups may join together with R' to form a substituted or unsubstituted, saturated, partially unsaturated, or aromatic cyclic or polycyclic substituent; each X group is, independently, is, hydrogen, a halogen, or a hydrocarbyl, substituted hydrocarbyl, halocarbyl, substituted halocarbyl, silylcarbyl, substituted sililcarbyl, germylcarbyl, or substituted germylcarbyl substituents, and optionally, adjacent X groups may join together to form a substituted or unsubstituted, saturated, partially unsaturated, or aromatic cyclic or polycyclic substituent; m and m’ are, independently, 0, 1, 2, or 3; z and z’ are, independently, 0, 1, 2, or 3; N is nitrogen; Q is hydrogen, or a hydrocarbyl, substituted hydrocarbyl, halocarbyl, substituted halocarbyl, silylcarbyl, substituted silylcarbyl, germylcarbyl, or substituted germylcarbyl substituents; Q’ is hydrogen, or a hydrocarbyl, substituted hydrocarbyl, halocarbyl, substituted halocarbyl, silylcarbyl, substituted silylcarbyl, germylcarbyl or substituted germylcarbyl substituents; and L is a hydrocarbyl, substituted hydrocarbyl, halocarbyl, substituted halocarbyl, silylcarbyl, substituted silylcarbyl, germylcarbyl, or substituted germylcarbyl substituent.

  这项发明涉及由式(I)表示的新过渡金属催化剂化合物，其中：M和M'分别是8、9、10或11族过渡金属，优选为Ni、Co、Pd、Cu或Fe；每个R基分别是氢，或烃基，取代烃基，卤代烃基，取代卤代烃基，硅烃基，取代硅烃基，锗烃基，或取代锗烃基取代基，且可选地，相邻的R基可以结合在一起形成取代或未取代的饱和、部分不饱和或芳香环或多环取代基；R'是氢，或烃基，取代烃基，卤代烃基，取代卤代烃基，硅烃基，取代硅烃基，锗烃基，或取代锗烃基取代基，且可选地，相邻的R基可以与R'结合在一起形成取代或未取代的饱和、部分不饱和或芳香环或多环取代基；每个X基分别是氢，卤素，或烃基，取代烃基，卤代烃基，取代卤代烃基，硅烃基，取代硅烃基，锗烃基，或取代锗烃基取代基，且可选地，相邻的X基可以结合在一起形成取代或未取代的饱和、部分不饱和或芳香环或多环取代基；m和m'分别为0、1、2或3；z和z'分别为0、1、2或3；N为氮；Q为氢，或烃基，取代烃基，卤代烃基，取代卤代烃基，硅烃基，取代硅烃基，锗烃基，或取代锗烃基取代基；Q'为氢，或烃基，取代烃基，卤代烃基，取代卤代烃基，硅烃基，取代硅烃基，锗烃基，或取代锗烃基取代基；L为烃基，取代烃基，卤代烃基，取代卤代烃基，硅烃基，取代硅烃基，锗烃基，或取代锗烃基取代基。
• Process for preparing vinyl substituted beta-diketones
  申请人：Southard E. Glen

  公开号：US20060069288A1

  公开（公告）日：2006-03-30

  A process for preparing vinyl substituted beta-diketones includes reacting a halogen-containing beta-diketone with an olefin in a reaction zone under Heck coupling reaction conditions in the presence of a catalyst, a base, and an organic phosphine to provide a vinyl substituted beta-diketone product.

  制备乙烯基取代的β-二酮的方法包括在反应区域中，在存在催化剂、碱和有机膦的条件下，将含卤素的β-二酮与烯烃进行 Heck 偶联反应，从而得到乙烯基取代的β-二酮产物。
• Precursors for fragrant ketones and fragrant aldehydes
  申请人：Givaudan SA

  公开号：EP1262473A1

  公开（公告）日：2002-12-04

  The present invention refers to fragrance precursors of formula I for a fragrant ketone of formula II and one or more fragrant aldehydes or ketones of formula III and IV, These fragrance precursors are useful in perfumery, especially in the fine and functional perfumery.

  本发明涉及公式I的香气前体，用于公式II的芳香酮和公式III和IV的一个或多个芳香醛或酮，这些香气前体在香水制造中特别有用，尤其是在精细和功能性香水中。
• Olefin polymerization catalyst system and process for use thereof
  申请人：Rix C. Francis

  公开号：US20060009595A1

  公开（公告）日：2006-01-12

  This invention relates to a compound represented by the formula: where M is a transition metal selected from group 4 of the periodic table; each R 1 is independently selected from the group consisting of hydrogen, hydrocarbyl, substituted hydrocarbyl and functional group, and any two R 1 may be linked, provided that if the two R 1 groups are linked, then they do not form a butadiene group when M is Zr; each R 2 is independently selected from the group consisting of methyl, ethyl, propyl, butyl, pentyl, hexyl and the isomers thereof, provided that when R 3 and R 6 and or R 12 and R 15 form a 5 carbon ring, then each R 2 is independently selected from the group consisting of ethyl, propyl, butyl, pentyl, hexyl and the isomers thereof; R 3 is carbon or silicon; R 4 is hydrogen, hydrocarbyl, substituted hydrocarbyl or a functional group; a is 0, 1, or 2; R 5 is hydrogen, hydrocarbyl, substituted hydrocarbyl or a functional group, R 4 and R 5 may be bound together to form a ring, and R 5 and R 3 may be bound together to form a ring; b is 0, 1, or 2; R 6 is carbon or silicon; and R 4 and R 6 may be bound together to form a ring; each R 7 is hydrogen; each R 8 is independently selected from the group consisting of hydrogen, methyl, ethyl, propyl, butyl, pentyl, hexyl and the isomers thereof; each R 9 is independently selected from the group consisting of hydrogen, hydrocarbyl, substituted hydrocarbyl and a functional group, and two R 9 groups may be linked together to form a ring, R 9 and R 8 may be linked together to form a ring, R 9 and R 16 may be linked together to form a ring, R 9 and R 11 may be linked together to form a ring; c is 0, 1 or 2; R 10 is -M 2 (R 16 ) h — where M 2 is B, Al, N, P, Si or Ge, h is an integer from 1 to 2 , such that the valence of M 2 is filled, and R 16 is hydrogen, hydrocarbyl, substituted hydrocarbyl or a functional group, and two R 16 groups may be linked together to form a ring; d is 0, 1, or 2; each R 11 is independently selected from the group consisting of hydrogen, hydrocarbyl, substituted hydrocarbyl and a functional group, and two R 11 groups may be linked together to form a ring. R 11 and R 8 may be linked together to form a ring. R 11 and R 16 may be linked together to form a ring; e is 0, 1, or 2; where the sum of c, d, and e is 1, 2 or 3; R 12 is carbon or silicon; R 13 is hydrogen, hydrocarbyl, substituted hydrocarbyl or a functional group, and R 13 and R 14 may be bound together to form a ring, and R 13 and R 15 may be bound together to form a ring, when g is 0; f is 0, 1, or 2; R 14 is hydrogen, hydrocarbyl, substituted hydrocarbyl or a functional group, and R 14 and R 12 may be bound together to form a ring, when f is 0; g is 0, 1, or 2; and R 15 is carbon or silicon. This invention further relates to a process to polymerize unsaturated monomers using the above compositions.

  本发明涉及一种由以下公式表示的化合物：其中M是周期表中4族过渡金属中选取的元素；每个R1独立地选自氢、烃基、取代烃基和官能团组成的群体，任意两个R1可能被连接，前提是如果两个R1组被连接，则当M为Zr时它们不形成丁二烯基团；每个R2独立地选自甲基、乙基、丙基、丁基、戊基、己基及其异构体组成的群体，前提是当R3和R6以及/或R12和R15形成一个5碳环时，每个R2独立地选自乙基、丙基、丁基、戊基、己基及其异构体；R3是碳或硅；R4是氢、烃基、取代烃基或官能团；a为0、1或2；R5是氢、烃基、取代烃基或官能团，R4和R5可能结合形成一个环，R5和R3可能结合形成一个环；b为0、1或2；R6是碳或硅；R4和R6可能结合形成一个环；每个R7是氢；每个R8独立地选自氢、甲基、乙基、丙基、丁基、戊基、己基及其异构体；每个R9独立地选自氢、烃基、取代烃基和官能团组成的群体，两个R9组可能连接以形成一个环，R9和R8可能连接以形成一个环，R9和R16可能连接以形成一个环，R9和R11可能连接以形成一个环；c为0、1或2；R10是-M2(R16)h—，其中M2是B、Al、N、P、Si或Ge，h是1到2之间的整数，使得M2的价被填满，R16是氢、烃基、取代烃基或官能团，两个R16组可能连接以形成一个环；d为0、1或2；每个R11独立地选自氢、烃基、取代烃基和官能团组成的群体，两个R11组可能连接以形成一个环。R11和R8可能连接以形成一个环。R11和R16可能连接以形成一个环；e为0、1或2；其中c、d和e的总和为1、2或3；R12是碳或硅；R13是氢、烃基、取代烃基或官能团，当g为0时，R13和R14可能结合形成一个环，R13和R15可能结合形成一个环；f为0、1或2；R14是氢、烃基、取代烃基或官能团，当f为0时，R14和R12可能结合形成一个环；g为0、1或2；R15是碳或硅。此外，本发明还涉及使用上述组合物聚合不饱和单体的方法。

表征谱图