4-(2-氰乙基)苯甲酸 | 55584-01-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(2-氰乙基)苯甲酸
• 英文名称: 4-(2-cyanoethyl)benzoic acid
• 英文别名: 4-(2-cyanoethyl) benzoic acid；4-(2-cyanoethyl)-benzoic acid；4-(2-Cyanoethyl)-benzoesaeure
• CAS: 55584-01-5
• 化学式: C₁₀H₉NO₂
• 分子量: 175.187
• InChiKey: XXVJLBYVAWMZLD-UHFFFAOYSA-N

物化性质

• 沸点：
  398.8±25.0 °C(Predicted)
• 密度：
  1.210±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  61.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(2-氰乙基)苯甲酸 在 palladium on activated charcoal 磺酰氯 、 硫酸 、 氢气 、 三乙胺 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 、 水 、 苯 为溶剂， 25.0 ℃ 、351.64 kPa 条件下， 反应 18.5h， 生成 diethyl N-<4-<3-(2,4-diamino-5,6,7,8-tetrahydropyrimido<4,5-d>pyrimidin-6-yl)propyl>benzoyl>-L-glutamate
  参考文献：
  名称：

  Delia, Thomas J.; Baumann, Markus; Bunker, Amy, Heterocycles, 1993, vol. 35, # 2, p. 1397 - 1410

  摘要：

  DOI：
• 作为产物：
  描述：

  α-Chloro-p-carboxyhydrocinnamonitrile 在 溶剂黄146 、 锌 作用下， 反应 2.0h， 以68%的产率得到4-(2-氰乙基)苯甲酸
  参考文献：
  名称：

  Novel inhibitor compounds specific of secreted non-pancreatic human a2phospholipase of group II

  摘要：

  本发明涉及以下式（I）的化合物以及含有该化合物的药物组合物：其中D、Y、A、B、p、q、W和R的含义与规范中定义的含义相同。

  公开号：

  US20050075345A1

文献信息

• Novel inhibitor compounds specific of secreted non-pancreatic human a<sb>2</sb>phospholipase of group II
  申请人：Heymans Francoise

  公开号：US20050075345A1

  公开（公告）日：2005-04-07

  The present invention relates to a compound of the following formula (I) and pharmaceutical compositions containing the compound of formula (I): wherein D, Y, A, B, p, q, W and R have the same meanings as defined in the specification.

  本发明涉及以下式（I）的化合物以及含有该化合物的药物组合物：其中D、Y、A、B、p、q、W和R的含义与规范中定义的含义相同。
• Phenyl azophenyl dyestuff
  申请人：Produits Chimiques Ugine Kuhlmann

  公开号：US03987027A1

  公开（公告）日：1976-10-19

  Dyestuff of the formula: ##SPC1## In which m is equal to 0 or 1, n is equal to 1, 2 or 3, A represents the residue of an aromatic or heterocyclic diazotizable amine devoid of solubilizing acid groups, the benzene ring B is unsubstituted or substituted by one or two atoms of chlorine or bromine or methyl, ethyl, methoxy, ethoxy or acylamino groups, X represents a hydrogen or chlorine atom or a methyl, ethyl, methoxy, ethoxy or acylamino group, Y represents a hydrogen atom or a methyl, ethyl, methoxy or ethoxy group, R represents a hydrogen atom, a mono substituted or unsubstituted alkyl group or a group of the formula: ##SPC2## And Z represents a 2-cyanovinyl, 2-cyanoethyl or 2-chloro-2-cyanoethyl residue; process for the preparation of dyestuffs of the above formula; process for coloring hydrophobic materials with such dyestuffs; hydrophobic materials colored with such dyestuffs and esters of the formula: ##SPC3## Wherein m, n, A, B, R, X, Y and Z have the meanings given above.

  该配方的染料：##SPC1## 其中m等于0或1，n等于1、2或3，A代表芳香或杂环重氮化胺的残基，不含可溶解酸基团，苯环B未取代或取代为一个或两个氯或溴原子，或者甲基、乙基、甲氧基、乙氧基或酰胺基团，X代表氢或氯原子，或者甲基、乙基、甲氧基、乙氧基或酰胺基团，Y代表氢原子或甲基、乙基、甲氧基或乙氧基，R代表氢原子、单取代或未取代的烷基团或##SPC2##的公式的一个团，Z代表2-氰基乙烯基、2-氰基乙基或2-氯-2-氰基乙基残基；上述配方染料的制备方法；用这种染料为疏水材料着色的方法；用这种染料着色的疏水材料和##SPC3##的酯，其中m、n、A、B、R、X、Y和Z的含义如上述所述。
• Heteryl-azo-phenyl disperse dyestuffs containing a Z-substituted
  申请人：Produits Chimiques Ugine Kuhlmann

  公开号：US04105653A1

  公开（公告）日：1978-08-08

  A dyestuff of the formula: ##STR1## in which A is thiazolyl, isothiazolyl, benzothiazolyl, benzisothiazolyl, thiadiazolyl, thienyl, or imidazolyl which is unsubstituted or substituted by one to three substituents selected from chlorine, bromine, methyl, phenyl, nitro, cyano, thiocyano, acetyl, carbalkoxy containing 2 to 5 carbon atoms and alkylsulfonyl containing 1 to 4 carbon atoms; X is hydrogen, chlorine, methyl, ethyl, methoxy, ethoxy, formylamino, acetylamino, propanoylamino, benzoylamino or cinnamoylamino; Y is hydrogen, methyl, ethyl, methoxy or ethoxy; R is hydrogen, alkyl containing 1 to 4 carbon atoms or the group of formula: ##STR2## said alkyl being unsubstituted or substituted by one hydroxy, alkoxy containing 1 to 4 carbon atoms, phenoxy, acetyloxy, cyano, alkylsulfonyl containing 1 to 4 carbon atoms, carbalkoxy containing 2 to 5 carbon atoms or alkoxycarbonyloxy containing 2 to 5 carbon atoms; N is equal to 1, 2 or 3; and Z is 2-cyanovinyl, 2-cyanoethyl or 2-chloro-2-cyanoethyl and which are useful as dispersion dyestuffs for dyeing and printing fibers of fibrous materials which are based on organic substances with high molecular weight, are hydrophobic and are wholly or partially synthetic.

  一种染料的化学式：## STR1 ## 其中A是噻唑基，异噻唑基，苯并噻唑基，苯并异噻唑基，噻二唑基，噻吩基或未取代或取代1-3个由氯，溴，甲基，苯基，硝基，氰基，硫氰基，乙酰基，含2-5个碳原子的羧基烷基或含1-4个碳原子的烷基磺酰基的基团；X是氢，氯，甲基，乙基，甲氧基，乙氧基，甲酰氨基，乙酰氨基，丙酰氨基，苯甲酰氨基或肉桂酰氨基；Y是氢，甲基，乙基，甲氧基或乙氧基；R是氢，含1-4个碳原子的烷基或式：##STR2## 其中所述的烷基未取代或取代1个羟基，含1-4个碳原子的烷氧基，苯氧基，乙酰氧基，氰基，含1-4个碳原子的烷基磺酰基，含2-5个碳原子的羧基烷基或含2-5个碳原子的烷氧羰氧基；N等于1、2或3；Z是2-氰基乙烯基，2-氰基乙基或2-氯-2-氰基乙基，适用于染色和印花有机高分子基础的纤维或部分合成纤维的纤维材料，具有高分子量，疏水性。
• Palladium-catalyzed carbon-carbon bond forming reactions
  申请人：Liu R. David

  公开号：US20070066851A1

  公开（公告）日：2007-03-22

  A novel palladium-mediated carbon-carbon bond forming reaction has been discovered using DNA-templated chemistry. The inventive reaction involves the palladium-mediated coupling of a terminal alkyne with an alkene to form an enone. A catalytic amount of palladium may be used in the reaction if an oxidant is present. The reactions is also compatible with a variety of organic solvent as well as aqueous solution. Both intermolecular and intramolecular reactions have been demonstrated. This novel carbon-carbon bond forming reaction is particularly useful in the synthesis of macrocycles. Kits, reagents, catalysts, solvents, oxidants, salts, acids, instructions, and other materials useful in the practice of the inventive reaction are also provided.

  一项新型的钯介导的碳-碳键形成反应已经通过DNA模板化学发现。这种创新的反应涉及到钯介导的末端炔与烯烃的偶联反应，形成烯酮。如果存在氧化剂，则可以在反应中使用少量的催化剂钯。该反应还与多种有机溶剂以及水溶液兼容。已经证明了分子间和分子内反应。这种新型的碳-碳键形成反应在大环合成中特别有用。同时还提供了工具包、试剂、催化剂、溶剂、氧化剂、盐、酸、说明书和其他在实践中有用的材料。
• US3987027A
  申请人：——

  公开号：US3987027A

  公开（公告）日：1976-10-19