ethyl 2-phenyl-4-(t-butoxycarbonyl)-4-pentenoate | 169809-66-9

• 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: ethyl 2-phenyl-4-(t-butoxycarbonyl)-4-pentenoate
• 英文别名: 5-O-tert-butyl 1-O-ethyl 4-methylidene-2-phenylpentanedioate
• CAS: 169809-66-9
• 化学式: C₁₈H₂₄O₄
• 分子量: 304.386
• InChiKey: MBJCBKBTRDSGPZ-UHFFFAOYSA-N

物化性质

• 沸点：
  370.3±30.0 °C(Predicted)
• 密度：
  1.049±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  丙烯酸叔丁酯 、 tert-butyl 2-(bromomethyl)acrylate 、 苯乙酸乙酯 以 petroleum 、 水 、 乙酸乙酯 为溶剂， 以41%的产率得到ethyl 2-phenyl-4-(t-butoxycarbonyl)-4-pentenoate
  参考文献：
  名称：

  ALLYLIC CHAIN TRANSFER AGENTS

  摘要：

  公开号：

  EP0729449B1

文献信息

• Branched polyolefin synthesis
  申请人：——

  公开号：US20030149211A1

  公开（公告）日：2003-08-07

  The present invention relates to a process for the free radical initiated polymerization of unsaturated species characterized by the use of compound of Formula (I) as chain transfer agents, wherein X is selected from hydrogen; CN; optionally substituted aryl; COOH; COOR; C(O)NHR 6 ; C(O)NR 7 R 8 ; and halogen; Q is selected from COOR 1 ; CN; and C(O)NR 7 R 8 ; Y is selected from hydrogen; C 1 to C 6 alkyl; C 1 to C 6 alkyl substituted with one or more substituents selected from hydroxy, amino, C 1 to C 6 alkoxy, C 1 to C 6 alkoxycarbonyl, halogen, CN and optionally substituted aryl; C 1 to C 6 alkenyl; and C 1 to C 6 alkynyl; Z is selected from COOR 2 ; CN; and optionally substituted aryl; R 3 and R 4 may be the same or different and are selected from hydrogen, C 1 to C 4 alkyl and halogen; or R 3 and R 4 together with the carbon atom to which they are attached form part of a carbocyclic or heterocyclic ring structure; R is selected from C 1 to C 18 alkyl; C 1 to C 12 alkyl substituted with one or more substituents selected from hydroxy, amino, C 1 to C 6 alkoxy, phenyl, halogen, NCO, CN, and COOR 5 ; R 1 and R 2 may be the same or different and are selected from C 1 to C 18 alkyl; C 1 to C 12 alkyl substituted with one or more substituents selected from hydroxy, C 1 to C 6 acyloxy, C 1 to C 6 alkoxy, amino, halogen, Si(R 9 ) 3 , Si(OR 9 ) 3 , optionally substituted aryl, CN and NCO; R 5 is selected from hydrogen and C 1 to C 6 alkyl; R 6 is selected from hydrogen and C 1 to C 18 alkyl; R 7 and R 8 may be the same or different and are selected from C 1 to C 18 alkyl; and R 9 is selected from C 1 to C 18 alkyl; C 1 to C 18 cycloalkyl; and optionally substituted aryl.

  本发明涉及一种自由基引发的不饱和物种聚合工艺，其特征在于使用式 (I) 化合物作为链转移剂，其中 X 选自氢；CN；任选取代的芳基；COOH；COOR；C(O)NHR 6 ；C(O)NR 7 R 8 和卤素；Q 选自 COOR 1 CN；和 C(O)NR 7 R 8 Y 选自氢 1 至 C 6 烷基 1 至 C 6 被一个或多个取代基取代的烷基，取代基选自羟基、氨基、C 1 至 C 6 烷氧基、C 1 至 C 6 烷氧基羰基、卤素、CN 和任选取代的芳基； C 1 至 C 6 烯基；以及 C 1 至 C 6 炔基；Z 选自 COOR 2 CN；和任选取代的芳基；R 3 和 R 4 可以相同或不同，选自氢、C 1 至 C 4 烷基和卤素；或 R 3 和 R 4 与它们所连接的碳原子一起构成碳环或杂环结构的一部分；R 选自 C 1 至 C 18 烷基 1 至 C 12 被一个或多个取代基取代的烷基，取代基选自羟基、氨基、C 1 至 C 6 烷氧基、苯基、卤素、NCO、CN 和 COOR 5 ; R 1 和 R 2 可以相同或不同，并且选自 C 1 至 C 18 烷基 1 至 C 12 被一个或多个取代基取代的烷基，这些取代基选自羟基、C 1 至 C 6 酰氧基、C 1 至 C 6 烷氧基、氨基、卤素、Si(R 9 ) 3 Si(OR 9 ) 3 、任选取代的芳基、CN 和 NCO； R 5 选自氢和 C 1 至 C 6 烷基；R 6 选自氢和 C 1 至 C 18 烷基；R 7 和 R 8 可以相同或不同，选自 C 1 至 C 18 烷基；以及 R 9 选自 C 1 至 C 18 烷基 1 至 C 18 环烷基；以及任选取代的芳基。
• EP0729449A4
  申请人：——

  公开号：EP0729449A4

  公开（公告）日：1997-01-22
• US5773543A
  申请人：——

  公开号：US5773543A

  公开（公告）日：1998-06-30
• US5977278A
  申请人：——

  公开号：US5977278A

  公开（公告）日：1999-11-02
• [EN] ALLYLIC CHAIN TRANSFER AGENTS<br/>[FR] AGENTS DE TRANSFERT DE CHAINE ALLYLIQUE
  申请人：COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION

  公开号：WO1995012568A1

  公开（公告）日：1995-05-11

  (EN) The present invention relates to a process for the free radical initiated polymerization of unsaturated species characterised by the use of compound of Formula (I) as chain transfer agents, wherein X is selected from hydrogen; CN; optionally substituted aryl; COOH; COOR; C(O)NHR6; C(O)NR7R8; and halogen; Q is selected from COOR1; CN; and C(O)NR7R8; Y is selected from hydrogen; C1 to C6 alkyl; C1 to C6 alkyl substituted with one or more substituents selected from hydroxy, amino, C1 to C6 alkoxy, C1 to C6 alkoxycarbonyl, halogen, CN and optionally substituted aryl; C1 to C6 alkenyl; and C1 to C6 alkynyl; Z is selected from COOR2; CN; and optionally substituted aryl; R3 and R4 may be the same or different and are selected from hydrogen, C1 to C4 alkyl and halogen; or R3 and R4 together with the carbon atom to which they are attached form part of a carbocyclic or heterocyclic ring structure; R is selected from C1 to C18 alkyl; C1 to C12 alkyl substituted with one or more substituents selected from hydroxy, amino, C1 to C6 alkoxy, phenyl, halogen, NCO, CN, and COOR5; R1 and R2 may be the same or different and are selected from C1 to C18 alkyl; C1 to C12 alkyl substituted with one or more substituents selected from hydroxy, C1 to C6 acyloxy, C1 to C6 alkoxy, amino, halogen, Si(R9)3, Si(OR9)3, optionally substituted aryl, CN and NCO; R5 is selected from hydrogen and C1 to C6 alkyl; R6 is selected from hydrogen and C1 to C18 alkyl; R7 and R8 may be the same or different and are selected from C1 to C18 alkyl; and R9 is selected from C1 to C18 alkyl; C1 to C18 cycloalkyl; and optionally substituted aryl.(FR) La présente invention se rapporte à un procédé de polymérisation d'espèces insaturées, amorcée par radicaux libres, caractérisé par l'utilisation, comme agents de transfert de chaîne, de composés de la formule (I), dans laquelle X est choisi parmi hydrogène; CN; aryle éventuellement substitué; COOH; COOR; C(O)NHR6; C(O)NR7R8; et halogène; Q est choisi parmi COOR1; CN; et C(O)NR7R8; Y est choisi parmi hydrogène; alkyle C1-C6; alkyle C1-C6 substitué par au moins un substituant choisi parmi hydroxy, amino, alcoxy C1-C6, alcoxycarbonyle C1-C6, halogène, CN et aryle éventuellement substitué; alcényle C1-C6; et alcynyle C1-C6; Z est choisi parmi COOR2; CN; aryle éventuellement substitué; R3 and R4, qui peuvent être identiques ou différents, sont choisis parmi hydrogène, alkyle C1-C4 et halogène; ou R3 et R4, ainsi que l'atome de carbone auquel ils sont rattachés, font partie d'une structure de noyau carbocyclique ou hétérocyclique; R est choisi parmi alkyle C1-C18; alkyle C1-C12 substitué par au moins un substituant choisi parmi hydroxy, amino, alcoxy C1-C6, phényle, halogène, NCO, CN, et COOR5; R1 and R2, qui peuvent être identiques ou différents, sont choisi parmi alkyle C1-C18, alkyle C1-C12 substitué par au moins un substituant choisi parmi hydroxy, acyloxy C1 to C6, alcoxy C1-C6, amino, halogène, Si(R9)3, Si(OR9)3, aryle éventuellement substitué, CN et NCO; R5 est choisi parmi hydrogène et alkyle C1-C6; R6 est choisi parmi hydrogène et alkyle C1-C18; R7 et R8, qui peuvent être identiques ou différents, sont choisis parmi alkyle C1 à C18; et R9 est choisi parmi alkyle C1-C18; cycloalkyle C1 à C18; et aryle éventuellement substitué.