(E)-ethyl 4,4,4-trichloro-2-butenoate | 6625-01-0

• 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: (E)-ethyl 4,4,4-trichloro-2-butenoate
• 英文别名: ethyl trans-4,4,4-trichlorobutenoate；4,4,4-trichloro-trans-crotonic acid ethyl ester；4,4,4-Trichlor-trans-crotonsaeure-aethylester；Aethylester der γ.γ.γ-Trichlor-crotonsaeure；4,4,4-Trichlor-crotonsaeure-ethylester；2-Butenoic acid, 4,4,4-trichloro-, ethyl ester；ethyl (E)-4,4,4-trichlorobut-2-enoate
• CAS: 6625-01-0
• 化学式: C₆H₇Cl₃O₂
• 分子量: 217.479
• InChiKey: IZIBACDHNNVHQA-ONEGZZNKSA-N

物化性质

• 沸点：
  235.1±40.0 °C(Predicted)
• 密度：
  1.368±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E)-ethyl 4,4,4-trichloro-2-butenoate 生成 4,4-dichloro-but-3-enoic acid ethyl ester
  参考文献：
  名称：

  Castro,B.; Villieras,J., Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, 1968, vol. 266, p. 146 - 148

  摘要：

  DOI：
• 作为产物：
  描述：

  磷酰基乙酸三乙酯 、 水合氯醛 在 potassium carbonate 作用下， 以 水 为溶剂， 反应 15.0h， 以69%的产率得到(E)-ethyl 4,4,4-trichloro-2-butenoate
  参考文献：
  名称：

  Wittig-Horner Reactions in Heterogeneous Media; 2¹. A Convenient Synthesis of α,β-Unsaturated Esters and Ketones using Weak Bases in Water

  摘要：

  DOI：

  10.1055/s-1983-30311

文献信息

• Latent inhibitors. Part 2. Allylic inhibitors of alcohol dehydrogenase
  作者：Iain MacInnes、David E. Schorstein、Colin J. Suckling、Roger Wrigglesworth

  DOI：10.1039/p19810001103

  日期：——

  3-substituted prop-2-en-1-ols and -1-als, required for studying the latent inhibition of horse liver alcohol dehydrogenase (E.C. 1.1.1.1), are described. Substituents were chosen to cover a range of alkoxide, phenolate, thiolate, and halide leaving groups. Of the compounds studied, only 3-ethylthioprop-2-en-1-ol proved to be a latent inhibitor through oxidation to the corresponding aldehyde, catalysed by

  描述了研究潜在抑制马肝醇脱氢酶（EC 1.1.1.1）所需的多种3-取代的丙-2-烯-1-醇和-1-al的合成。选择取代基以覆盖一定范围的醇盐，酚盐，硫醇盐和卤化物离去基团。在研究的化合物中，只有3-ethylthioprop-2-en-1-ol被酶催化氧化为相应的醛，被证明是潜在的抑制剂。由产物研究和动力学测量表明，由该抑制剂引起的抑制作用的持久性归因于乙硫醇，乙硫醇是由酶催化的醛水解形成的。
• A convenient synthesis of olefins via deacylation reaction
  作者：Shogo Nakatsu、Aider T Gubaidullin、Vakhid A Mamedov、Sadao Tsuboi

  DOI：10.1016/j.tet.2004.01.022

  日期：2004.3

  A convenient and environmentally-friendly synthetic method of olefins via deacylation reaction is described. The reaction gives olefins by condensation of aldehydes with a variety of 1,3-dicarbonyl compounds in the presence of anhydrous potassium carbonate at room temperature in high yields (70–90%) in one step. The synthetic potential of this strategy can be used as an alternative procedure to the

  描述了一种通过脱酰基反应的方便且环境友好的烯烃合成方法。在无水碳酸钾存在下，室温下一步反应将醛与各种1,3-二羰基化合物缩合反应，可制得烯烃。该策略的综合潜力可作为Wittig，Wittig-Horner反应的替代方法。通过正确的射频和X射线分析的NOE实验确定了所得烯烃的立体化学。脱酰反应的E / Z选择性取决于1，3-二羰基化合物的α-取代基。
• Process for preparing poly alpha olefins
  申请人：UNIROYAL CHEMICAL COMPANY, Inc.

  公开号：EP0134079A2

  公开（公告）日：1985-03-13

  A compound having the formula YmXnCC(R1)=C(R2)R3 where Y is hydrogen, cyano or C2-C19 carbalkoxy; X is chlorine or bromine; R1 is hydrogen, chlorine, bromine or -COOR4; wherein R4 is C1-C18 alkyl, C3-C18 alkanyl, C5-C6 cycloalkyl, C7-C9 aralkyl or C1-C18 linear or branched alkyl, provided that R1 ist not chlorine or bromine if R2 is chlorine or bromine and if R1 and R2 are hydrogen they must be in the trans configuration; or R1 and R2 together is C3-C10 alkylene; R3 is an electron withdrawing group; n is 1, 2 or 3 and m is 3-n and the making said compound is disclosed. An intermediate compound, useful in the manufacture of the above compound, having the formula YmXnCCHR1-CR2R3X1 where Y, X, R', R2, R3, n and m have the meanings given for the compound of this invention and where X' is chlorine or bromine with the limitation that when n ist 3, R1 is hydrogen, X and X' are chlorine, if R2 is methyl then R3 is not methoxycarbonyl and if R2 is hydrogen then R3 is not methylcarbonyl, and a process for making said intermediate is described. A composition incorporating the compound, YmXnCC(R1)=C(R2)R3, with a vanadium catalyst, useful as a catalytic agent, i also disclosed. A process for preparing poly(alpha-olefins) employing a compound of the above formula as a catalyst without any of the restrictions relating to the meaning of R1 and R2 is also taught.

  具有式 YmXnCC(R1)=C(R2)R3 的化合物 其中 Y 是氢、氰基或 C2-C19 碳烷氧基；X 是氯或溴；R1 是氢、氯、溴或-COOR4；其中 R4 是 C1-C18 烷基、C3-C18 烷炔基、C5-C6 环烷基、C7-C9 芳烷基或 C1-C18 直链或支链烷基，条件是 R1 不是氯或溴，如果 R2 是氯或溴，如果 R1 和 R2 是氢，它们必须是反式构型；或者 R1 和 R2 一起是 C3-C10 亚烷基；R3 是取电子基团；n 是 1、2 或 3，m 是 3-n，并公开了上述化合物的制造方法。 描述了一种用于制造上述化合物的中间体化合物，其式为 YmXnCCHR1-CR2R3X1，其中 Y、X、R'、R2、R3、n 和 m 具有本发明化合物的含义，X'为氯或溴，限制条件是当 nt 为 3 时，R1 为氢，X 和 X'为氯，如果 R2 为甲基，则 R3 不是甲氧基羰基，如果 R2 为氢，则 R3 不是甲基羰基，并描述了制造上述中间体的工艺。 还公开了一种将化合物 YmXnCC(R1)=C(R2)R3 与钒催化剂结合在一起的组合物，可用作催化剂。 此外，还介绍了一种制备聚（α-烯烃）的工艺，该工艺采用上式化合物作为催化剂，而不受有关 R1 和 R2 意义的任何限制。
• Catalyst for alpha-olefin polymerization
  申请人：UNIROYAL CHEMICAL COMPANY, Inc.

  公开号：EP0134080A2

  公开（公告）日：1985-03-13

  A compound of the formula (O)nV(OCH2R)P(OR')qXm wherein R ist a tertiary alkyl having 4 to 18 carbon atoms; R' is a C1-C18 alkyl, or if q is 2, R' can also be C2-C8 linear or branched alkylene; X is chlorine, bromine or iodine; n is 0 or 1; if n is 0 then m is 0,1, 2 or 3; p is an integer of from 1 to 4; and q is 4-(p+m); if n is 1 then m is 0, 1 or 2; p is 1, 2 or 3 and q is 3-(p+m) with the limitation that if n is 1, p is 2 and R is tertiary butyl then X cannot be chlorine is disclosed. A process for forming said compound comprising reacting p moles of an alcohol ot the formula RCH2OH with 1 mole of V(O)nXv where R, M, X, m, n and p have the meaning above and v is m+p+q is also taught. The use of the compound of this invention, including compounds where n is 1, p is 2, R is tertiary butyl and X is chlorine with a compound of the formula R2rAlX2s where R2 is C1-C12 alkyl or C7-C9 aralkyl; X2 is halogen; r is 1, 1.5, 2 or 3; and s is 3-r as a catalyst in the polymerization of alpha-olefins is another aspect of this invention. Finally, a composition, useful in the catalytic polymerization of alpha-olefins comprising the compounds of this invention, including compounds where n is 1, p is 2, R is tertiary butyl and X is chlorine and a compound of the formula YtX1uCC(R3)=(R4)R5 where Y is hydrogen, cyano or C2-C19 carbalkoxy; X1 is chlorine or bromine; R3 is hydrogen, chlorine, bromine or -COORs wherein R6 is C1-C18 alkyl, C3-C18 alkenyl, C7-C6 cycloalkyl, C7-C9 aralkyl or C6-C10 aryl; R4 is hydrogen, chlorine, bromine or C1-C18 linear or branched alkyl; or R3 and R4 together is C3-C10 alkylene; R5 is an electron withdrawing group u is 1, 2 or 3; and t is 3-u is made known.

  式(O)nV(OCH2R)P(OR')qXm 的化合物 其中 R 是具有 4 至 18 个碳原子的叔烷基；R'是 C1-C18 烷基，如果 q 为 2，R'也可以是 C2-C8 直链或支链亚烷基；X 是氯、溴或碘；n 是 0 或 1；如果 n 为 0，则 m 为 0、1、2 或 3；p 为 1 至 4 的整数；q 为 4-(p+m)；如果 n 为 1，则 m 为 0、1 或 2；p 为 1、2 或 3，q 为 3-(p+m)。 还公开了一种形成上述化合物的工艺，该工艺包括使 p 摩尔式 RCH2OH 的醇与 1 摩尔 V(O)nXv 反应，其中 R、M、X、m、n 和 p 具有上述含义，v 为 m+p+q。 本发明的化合物，包括其中 n 为 1、p 为 2、R 为叔丁基、X 为氯的化合物与式 R2rAlX2s 的化合物的用途是本发明的另一方面，其中 R2 为 C1-C12 烷基或 C7-C9 芳烷基；X2 为卤素；r 为 1、1.5、2 或 3；s 为 3-r 作为α-烯烃聚合的催化剂。 最后，一种用于α-烯烃催化聚合的组合物，包括本发明的化合物，其中 n 是 1，p 是 2，R 是叔丁基，X 是氯，以及式 YtX1uCC(R3)=(R4)R5 的化合物，其中 Y 是氢、氰基或 C2-C19 碳烷氧基；X1 是氯或溴；R3 是氢、氯、溴或-COORs，其中 R6 是 C1-C18 烷基、C3-C18 烯基、C7-C6 环烷基、C7-C9 芳基或 C6-C10 芳基；R4 是氢、氯、溴或 C1-C18 直链或支链烷基；或 R3 和 R4 合在一起是 C3-C10 亚烷基；R5 是取电子基团 u 是 1、2 或 3；t 是 3-u。
• Process for producing copolymer
  申请人：Kawashima Jun

  公开号：US20050014914A1

  公开（公告）日：2005-01-20

  There are provided (I) a process for producing a copolymer of ethylene, an α-olefin having from 3 to 20 carbon atoms and optionally a polyene, which comprises the step of copolymerizing those monomers in a polymerization reactor by feeding the following components (A), (B), (C1) and (D) to the polymerization reactor: (A) a transition metal complex, (B) an organic aluminum compound, (C1) a halogen-containing compound, and (D) a Lewis base, wherein those components are fed to the polymerization reactor without a preliminary contact of (1) the component (A) with the component (B), (2) the component (A) with the component (C1), (3) the component (B) with the component (C1), and (4) the component (B) with the component (D); and (II) a process for producing said copolymer, which comprises the step of copolymerizing those monomers in a polymerization reactor (i) by feeding to the polymerization reactor the components (A), (B), (D), (C2) a halogen-containing compound, which is a derivative of an aryl group-containing carboxylic acid, and (C3) a halogen-containing compound, which is not a derivative of a carboxylic acid, or (ii) by feeding thereto the components (A), (B), (D), (C3), and (C4) a halogen-containing compound, which is a derivative of a carboxylic acid containing an unsaturated bond-carrying linear organic group.

  提供了(I)一种生产乙烯、具有 3 至 20 个碳原子的α-烯烃和任选的一种聚烯的共聚物的工艺，该工艺包括在聚合反应器中通过向聚合反应器加入下列组分(A)、(B)、(C1)和(D)使这些单体共聚的步骤：(A)过渡金属络合物，(B)有机铝化合物，(C1)含卤素化合物，和(D)路易斯碱，其中这些组分在送入聚合反应器时不需要(1)组分(A)与组分(B)，(2)组分(A)与组分(C1)，(3)组分(B)与组分(C1)，和(4)组分(B)与组分(D)的初步接触；和(II) 生产所述共聚物的工艺，该工艺包括在聚合反应器(i)中通过向聚合反应器加入组分(A)、(B)、(D)、(C2)含卤素化合物（含芳基羧酸的衍生物）来共聚这些单体的步骤、和 (C3) 含卤化合物，它不是羧酸的衍生物，或 (ii) 向反应器中加入组分 (A)、(B)、(D)、(C3) 和 (C4) 含卤化合物，它是含有不饱和键载线性有机基团的羧酸的衍生物。