2-hydroxy-2-phenylmalonic acid

• 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: 2-hydroxy-2-phenylmalonic acid
• 英文别名: α-Oxy-phenylmalonsaeure；hydroxy-phenyl-malonic acid；Hydroxy-phenyl-malonsaeure；Phenyltartronsaeure；2-Hydroxy-2-phenylpropanedioic acid
• 化学式: C₉H₈O₅
• 分子量: 196.16
• InChiKey: FRWLWDNANOVSOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  94.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-hydroxy-2-phenylmalonic acid 在 recombinant Bordetella bronchiseptica arylmalonate decarboxylase mutant G₁₉₀S+P₁₄V+P₁₅G from E_. coli BL₂₁ (DE₃) 作用下， 反应 24.0h， 生成 D-扁桃酸
  参考文献：
  名称：

  结构指导的烯基和芳基丙二酸酯脱羧酶的定向进化

  摘要：

  合理增强：芳基丙二酸脱羧酶（AMDase）的X射线晶体结构与基于机理的抑制剂结合在活性位点的双氧阴离子孔上，从而使人们深入了解了这种有趣的酶的机理。该结构还指导了AMDase生物催化库的扩展，使其包括各种α-烯基以及α-芳基丙二酸酯。

  DOI：

  10.1002/anie.200904112
• 作为产物：
  描述：

  diethyl phenyltartronate 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 以90%的产率得到2-hydroxy-2-phenylmalonic acid
  参考文献：
  名称：

  结构指导的烯基和芳基丙二酸酯脱羧酶的定向进化

  摘要：

  合理增强：芳基丙二酸脱羧酶（AMDase）的X射线晶体结构与基于机理的抑制剂结合在活性位点的双氧阴离子孔上，从而使人们深入了解了这种有趣的酶的机理。该结构还指导了AMDase生物催化库的扩展，使其包括各种α-烯基以及α-芳基丙二酸酯。

  DOI：

  10.1002/anie.200904112

文献信息

• Method for Producing (2,4-Dimethylbiphenyl-3-yl)Acetic Acids, the Esters Thereof and Intermediate Compounds
  申请人：FISCHER Reiner

  公开号：US20120116118A1

  公开（公告）日：2012-05-10

  The present invention relates to a novel process for preparing substituted and unsubstituted (2,4-dimethylbiphenyl-3-yl)acetic acids and their esters of the formula (I) using homogeneous and heterogeneous palladium catalysts, and also the intermediates 4-tert-butyl-2,6-dimethylphenylacetic acid and 4-tert-butyl-2,6-dimethylmandelic acid, and to processes for their preparation.

  本发明涉及一种新型制备取代和未取代的(2,4-二甲基联苯-3-基)乙酸及其酯的方法，使用均相和异相钯催化剂，以及中间体4-叔丁基-2,6-二甲基苯乙酸和4-叔丁基-2,6-二甲基苯乙酸的制备方法。
• Nitrilases, Nucleic Acids Encoding Them and Methods For Making and Using Them
  申请人：Desantis Grace

  公开号：US20120009637A1

  公开（公告）日：2012-01-12

  The invention relates to nitrilases and to nucleic acids encoding the nitrilases. In addition methods of designing new nitrilases and method of use thereof are also provided. The nitrilases have increased activity and stability at increased pH and temperature.

  该发明涉及到腈水解酶及编码腈水解酶的核酸。此外，还提供了设计新腈水解酶的方法和使用方法。这些腈水解酶在较高的pH和温度下具有增强的活性和稳定性。
• p-Hydroxyphenylmalonic acid derivatives and process for their preparation
  申请人：Océ-Andeno B.V.

  公开号：EP0061219A1

  公开（公告）日：1982-09-29

  The invention relates to isolated para- hydroxyphenylamalonic acid derivatives of formula in which R' is an active ester group and R" is a hydrogen atom or a carboxyl-protective group, as well as to a process for preparing them. Preferably R' is an N-succinimidyl group and R" is a hydrogen atom or a p-methoxybenzyl group.

  本发明涉及式中 R'为活性酯基，R "为氢原子或羧基保护基的分离的对羟基苯丙二酸衍生物，以及制备它们的工艺。 R'最好是 N-琥珀酰亚胺基，R "最好是氢原子或对甲氧基苄基。
• Polycyclic dyes
  申请人：ZENECA LIMITED

  公开号：EP0363034A2

  公开（公告）日：1990-04-11

  A process for the preparation of a polycyclic dye of Formula I: by reacting a phenyltartronic acid of Formula II: wherein W is - NR¹R² or - OR³; R³ is H or an optionally substituted alkyl, alkenyl, cycloalkyl or aralkyl group; R¹ & R² are each independently H or an optionally substituted alkyl, alkenyl, cycloalkyl, aralkyl or aryl group; or R¹ & R² together with the nitrogen atom to which they are attached form a heterocyclic ring; or R¹ or R² together with the nitrogen atom and the adjacent carbon atom of Ring B form a heterocyclic ring; and Ring B is unsubstituted, apart from the group W, or is substituted by one or two further groups; with either (a) a compound of Formula III: wherein, Z¹ & Z² are each independently - O -, - S - or - NY - in which Y is H, an optionally-substituted hydrocarbon group or an acyl group; X¹ & X² are each independently selected from H, halogen, cyano, alkyl, aryl, carbamoyl, sulphamoyl, COOH and carboxylic acid ester; & Ring A is unsubstituted or is substituted by from one to three groups; or (b) a compound of Formula IV: wherein Z¹, Z², X¹ and X² are as hereinbefore defined; and oxidation of the intermediate compound to dehydrogenate the peripheral heterocyclic rings. The invention also comprises a product of the aforementioned process which is suitable for the colouration of polyester textile material in shades from green through to reddish-blue of the formula: wherein: X¹ & X² each independently is H, cyano, alkyl, aryl, carbamoyl, sulphamoyl, COOH or carboxylic acid ester; Z¹ & Z² each independently is - O -, - S - or - NY - in which Y is H, an optionally-substituted hydrocarbon group or an acyl group; R¹ & R² each independently is H or an optionally substituted alkyl, alkenyl, cycloalkyl, aryl or aralkyl group; or R¹ & R² together with the N atom to which they are attached, form a heterocycle; R⁴ & R⁵ each independently is H, halogen or an optionally substituted alkyl, alkenyl or alkoxy group; or R¹ & R⁴ together with the N atom and the two carbon atoms in Ring B to which they are attached form a heterocycle fused to Ring B; or R² & R⁵ together with the N atom and the two carbon atoms in Ring B to which they are attached form a heterocycle fused to Ring B; R⁶ is H, halogen, an optionally substituted alkyl or alkoxy group or a group NR¹R² in which each of R¹ and R² independently is as hereinbefore defined; R⁷ & R⁸ each independently is H, halogen or an optionally substituted alkyl, alkenyl or alkoxy group; or R¹ & R⁷ together with the N atom and the two carbon atoms in Ring A to which they are attached form a heterocycle fused to Ring A; or R² & R⁸ together with the N atom and the two carbon atoms in Ring A to which they are attached form a heterocycle fused to Ring A; and where R⁶ is NR¹R², this may be the same as or different from the NR¹R² group present in Ring B.

  一种制备式 I 多环染料的工艺： 式 II 的苯基酒石酸进行反应： 其中 W 是-NR¹R²或-OR³； R³ 是 H 或任选取代的烷基、烯基、环烷基或芳烷基； R¹ 和 R² 各自独立地为 H 或任选取代的烷基、烯基、环烷基、芳基或芳基；或 R¹ 和 R² 与它们所连接的氮原子一起形成杂环；或 R¹ 或 R² 与环 B 的氮原子和相邻碳原子一起形成杂环；以及 除基团 W 外，环 B 未被取代，或被一个或两个基团取代； (a) 式 III 的化合物： 其中 Z¹ 和 Z² 各自独立地为-O-、-S-或-NY-，其中 Y 为 H、任选取代的烃基或酰基； X¹ 和 X² 各自独立地选自 H、卤素、氰基、烷基、芳基、氨基甲酰基、氨基磺酰基、COOH 和羧酸酯；以及 环 A 未被取代或被一至三个基团取代； 或 (b) 式 IV 的化合物： 其中 Z¹、Z²、X¹ 和 X² 如前定义； 并氧化中间体化合物，使外周杂环脱氢。 本发明还包括上述工艺的一种产品，该产品适用于涤纶纺织材料的着色，其色调从绿色到红蓝色，其式如下： Z¹、Z²、X¹和 X²如前所述： 其中 X¹ 和 X² 各自独立地为 H、氰基、烷基、芳基、氨基甲酰基、氨基磺酰基、COOH 或羧酸酯； Z¹ 和 Z² 各自独立地为-O-、-S-或-NY-，其中 Y 为 H、任选取代的烃基或酰基； R¹ 和 R² 各自独立地为 H 或任选取代的烷基、烯基、环烷基、芳基或芳烷基；或 R¹ 和 R² 与它们所连接的 N 原子一起形成杂环； R⁴ 和 R⁵ 各自独立地为 H、卤素或任选取代的烷基、烯基或烷氧基；或 R¹ & R⁴ 与 N 原子和它们所连接的环 B 中的两个碳原子一起形成一个与环 B 融合的杂环；或 R² & R⁵ 与 N 原子和环 B 中与之相连的两个碳原子一起形成一个与环 B 融合的杂环； R⁶ 是 H、卤素、任选取代的烷基或烷氧基或基团 NR¹R²，其中 R¹ 和 R² 各自独立地如前所述定义； R⁷ 和 R⁸ 各自独立地为 H、卤素或任选取代的烷基、烯基或烷氧基；或 R¹ & R⁷ 与 N 原子和环 A 中与之相连的两个碳原子一起形成与环 A 融合的杂环；或 R² & R⁸ 与 N 原子和环 A 中与之相连的两个碳原子一起形成一个与环 A 融合的杂环； 当 R⁶ 为 NR¹R² 时，可与环 B 中的 NR¹R² 基团相同或不同。
• Powder coating compositions, their preparation and use
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP1070748A1

  公开（公告）日：2001-01-24

  A powder coating composition comprising an intimate blend in a finely divided form of: (a) from about 60 to 70 percent by weight of a polymeric binder including a mixture of an epoxy, polyester, blocked urethane, or an acrylic resin; (b) from about 30 to 40 percent by weight of a co-reactant capable of reacting with the reactive functionality on said polymeric binder (a) selected from the group consisting of blocked aliphatic diisocyanates, blocked aromatic diisocyanates, acid anhydrides, triglycidyl isocyanurate, dicyandiamide and its derivatives and mixtures thereof; (c) from about 0 to 2 percent by weight of a degasser; and (d) from about 0.2 to 5 percent by weight of a hyperbranched polyester as a flow and levelling agent or as an adhesion promotor; wherein said hyperbranched polyester has a number average molecular weight of at least 1200 and a glass transition temperature (Tg) of from about 35°C to about 170°C.

  一种粉末涂料组合物，由以下物质以细粒形式紧密混合而成： (a) 约 60%至 70%（按重量计）的聚合物粘结剂，包括环氧树脂、聚酯、嵌段聚氨酯或丙烯酸树脂的混合物； (b) 约 30%至 40%（按重量计）能与所述聚合物粘合剂（a）上的反应官能团发生 反应的共反应物，该共反应物选自由封端脂肪族二异氰酸酯、封端芳香族二异 氰酸酯、酸酐、异氰尿酸三缩水甘油酯、双氰二酰胺及其衍生物和它们的混 合物组成的组； (c) 以重量计约 0%至 2%的脱气剂；及 (d) 以重量计约 0.2%至 5%的超支化聚酯，作为流动剂和流平剂或粘合促进剂； 其中所述超支化聚酯的平均分子量至少为 1200，玻璃化温度 (Tg) 约为 35°C 至 170°C。