4-(1,2-Dibrom-ethyl)-benzoesaeure | 98590-59-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(1,2-Dibrom-ethyl)-benzoesaeure
• 英文别名: 4-(1,2-dibromoethyl)benzoic acid
• CAS: 98590-59-1
• 化学式: C₉H₈Br₂O₂
• 分子量: 307.969
• InChiKey: BCWHJYDJXBUYAK-UHFFFAOYSA-N

物化性质

• 熔点：
  168 °C
• 沸点：
  373.9±32.0 °C(Predicted)
• 密度：
  1.902±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(1,2-Dibrom-ethyl)-benzoesaeure 、 氯化亚砜 生成 4-(1,2-dibromoethyl)benzoyl chloride
  参考文献：
  名称：

  PALMER, CHRISTOPHER J.;CASIDA, JOHN E.

  摘要：

  DOI：
• 作为产物：
  描述：

  4-乙烯基苯甲酸 在 六氟异丙醇 、 N,N,N,N-tetraethylammonium tetrafluoroborate 、 1,2-二溴乙烷 作用下， 以 乙腈 为溶剂， 以32%的产率得到4-(1,2-Dibrom-ethyl)-benzoesaeure
  参考文献：
  名称：

  合并穿梭反应和配对电解以实现可逆的邻位二卤代

  摘要：

  邻二溴化物和二氯化物是重要的商品化学品，也是现代化学中必不可少的合成中间体，传统上是使用危险的元素氯和溴合成的。同时，卤化污染物在环境中的持久性要求改进方法以加速其修复。在这里，我们引入一个电化学辅助梭（E-梭）范式烯烃和邻位二卤化物的容易和可扩展的相互转换，一类反应，可用于既从简单的烯烃，并再循环废料通过合成有用二卤代分子复古-二卤代。用1,2-二溴乙烷，1,1,1,2-四氯乙烷或1,2-二氯乙烷分别通过廉价的石墨电极以简单的设置分别对多种烯烃进行二溴化或二氯化反应，证明了该反应。相反，可以使用简单的烯烃受体将六氯化持久性污染物林丹完全脱氯为土壤样品中的苯。

  DOI：

  10.1126/science.abf2974

文献信息

• 1,4-bis-substituted-2,6,7-trioxabicyclo(2.2.2)-octanes having ethynyl
  申请人：The Regents of the University of California

  公开号：US04772624A1

  公开（公告）日：1988-09-20

  A compound of the formula ##STR1## wherein R is C.sub.3 -C.sub.10 normal- or branched- alkyl or cycloalkyl, C.sub.3 -C.sub.10 normal- or branched- alkyl or cycloalkyl having one or more halogen, cyano, C.sub.1 -C.sub.2 partially or completely halogenated alkyl, or C.sub.1 -C.sub.3 alkoxy or partially or completely halogenated alkoxy substituents, C.sub.3 -C.sub.10 cycloalkyl having C.sub.1 -C.sub.2 alkyl substituents, phenyl, or phenyl having one or more halogen, cyano, nitro, ethynl, C.sub.1 -C.sub.2 alkyl or partially or completely halogenated alkyl, or C.sub.1 -C.sub.3 alkoxy or partially or completely halogenated alkoxy substituents; wherein at least one of R.sub.2 -R.sub.6 is ethynyl; and wherein the remainder of R.sub.2 -R.sub.6 are independently either hydrogen, halogen, C.sub.1 -C.sub.2 alkyl, partially or completely halogenated C.sub.1 -C.sub.2 alkyl, C.sub.1 -C.sub.3 alkoxy, partially or completely halogenated C.sub.1 -C.sub.3 alkoxy, ethynyl, nitro, cyano, or azido. Such a compound is useful in killing pests, particularly insects.

  一种化合物的化学式为##STR1##其中R是C.sub.3-C.sub.10正构或支链烷基或环烷基，C.sub.3-C.sub.10正构或支链烷基或环烷基具有一个或多个卤素，氰基，C.sub.1-C.sub.2部分或完全卤代烷基，或C.sub.1-C.sub.3烷氧基或部分或完全卤代烷氧基取代基，C.sub.3-C.sub.10环烷基具有C.sub.1-C.sub.2烷基取代基，苯基或苯基具有一个或多个卤素，氰基，硝基，乙炔基，C.sub.1-C.sub.2烷基或部分或完全卤代烷基，或C.sub.1-C.sub.3烷氧基或部分或完全卤代烷氧基取代基；其中R.sub.2-R.sub.6中至少有一个是乙炔基; R.sub.2-R.sub.6的其余部分独立地是氢，卤素，C.sub.1-C.sub.2烷基，部分或完全卤代C.sub.1-C.sub.2烷基，C.sub.1-C.sub.3烷氧基，部分或完全卤代C.sub.1-C.sub.3烷氧基，乙炔基，硝基，氰基或叠氮基。这种化合物在杀虫剂特别是杀虫剂方面有用。
• Pesticidal compounds
  申请人：ROUSSEL-UCLAF

  公开号：EP0216624A2

  公开（公告）日：1987-04-01

  Bicyclo-[2,2,1]-heptanes, bicyclo-[2,2,2]-octanes and bi- cyclo-[2,2,3]-nonanes having 2 or 3 ring hetero atoms selected from 0, S and N, substituted at the 1-position by a 4-alkynylphenyl group and at the 4-position and optionally at the 3 and/or 5-position are valuable pesticides, particularly insecticides and acaracides. The compounds may be prepared by reacting an alkyne with the corresponding 4- iodophenyl substituted compound or by debromination of the corresponding 4-dibrom- omethylphenyl substituted compound.

  双环-[2,2,1]-庚烷、双环-[2,2,2]-辛烷和双环-[2,2,3]-壬烷具有 2 个或 3 个选自 0、S 和 N 的环状杂原子，在 1 位被 4-炔基苯基取代，在 4 位和任选在 3 位和/或 5 位被 4-炔基苯基取代，是有价值的杀虫剂，特别是杀虫剂和杀螨剂。这些化合物可通过炔烃与相应的 4-碘苯基取代化合物反应或通过相应的 4-二溴-甲基苯基取代化合物的脱溴反应制备。
• Chemically Detachable Polyelectrolyte Multilayer Platform for Cell Sheet Engineering
  作者：Armelle Chassepot、Longcheng Gao、Isabelle Nguyen、Alexandre Dochter、Florence Fioretti、Patrick Menu、Halima Kerdjoudj、Corinne Baehr、Pierre Schaaf、Jean-Claude Voegel、Fouzia Boulmedais、Benoit Frisch、Joëlle Ogier

  DOI：10.1021/cm2024982

  日期：2012.3.13

  Human gingival fibroblasts (HGFs) cell sheets have a potential use for in vivo wound healing due to the ability of HGFs to adopt a contractile phenotype which is typically expressed during extracellular matrix tissue remodeling. For this purpose, we developed a chemically detachable platform based on poly(allylamine hydrochloride)/poly(styrene sulfonate) multilayer film built on a sacrificial precursor film which served as a substrate for HGF cell layer formation. The sacrificial precursor film, based on disulfide-containing polycation and polyanion, is degradable under mild conditions compatible for cell sheet detachment. Cellular viability and cell phenotype analysis of HGF show that the designed platform promotes cell phenotype switch into contractile phenotype, maintained after cell sheet lift-off. This contractile phenotype is acquired by fibroblasts during in vivo wound healing and tissue remodeling. HGFs cell sheet fragments, obtained by this detachment process, could be cultured later on showing a good retention of the typical spindle-shape of differentiated cells after 10 days of culture. HGFs cell sheets have great potential applications as autologous substrates for tissue repair and cellular synthetic platforms for research on connective tissue diseases or evaluation of novel therapeutic agents.
• PALMER, CHRISTOPHER J.;CASIDA, JOHN E.
  作者：PALMER, CHRISTOPHER J.、CASIDA, JOHN E.

  DOI：——

  日期：——
• US4772624A
  申请人：——

  公开号：US4772624A

  公开（公告）日：1988-09-20