2-methane-sulphonyloxy-hydratropic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 2-methane-sulphonyloxy-hydratropic acid
• 英文别名: 2-mesyloxy-hydratropic acid；2-Methane-sulphonyloxyhydratropic acid；2-(2-methylsulfonyloxyphenyl)propanoic acid
• 化学式: C₁₀H₁₂O₅S
• 分子量: 244.268
• InChiKey: DCSQRQWNXPRVIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  89
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-methane-sulphonyloxy-hydratropic acid 在 钯 三乙胺 作用下， 以 甲醇 、 水 为溶剂， 生成 2-苯基丙酸
  参考文献：
  名称：

  Arylacetic acid derivatives

  摘要：

  公式为##STR1##的芳基乙酸衍生物，其中R.sup.1、R.sup.2和R.sup.3具体定义，并且可用作抗风湿和抗炎药物，通过对公式为##STR2##的新化合物进行催化氢化来实现，其中R和R.sup.10也具体定义。还提供了制备后一化合物的方法。

  公开号：

  US04317920A1

文献信息

• Esters of ortho-allylphenol useful for the preparation of arylacetic
  申请人：Chinoin Gyogyszer es Vegyeszeti Termekek Gyara Rt.

  公开号：US04385004A1

  公开（公告）日：1983-05-24

  New compounds of the formula (VIIIa) are disclosed ##STR1## wherein R.sup.1 is hydrogen, methyl or ethyl; R.sup.2 is hydrogen, fluoro, or alkyl having 1 to 4 carbon atoms; R.sup.3 is hydrogen, phenyl, alkoxy having 1 to 6 carbon atoms; phenoxy, thenoyl, or benzoyl; or R.sup.2 and R.sup.3 together with the phenyl group to which they are attached form a naphthyl group which is unsubstituted or substituted by C.sub.1 to C.sub.4 alkyl or C.sub.1 to C.sub.4 alkoxy; R.sup.10 is phenylaminocarbonyl, 1-phenyl-5-tetrazolyl, a group --SO.sub.2 OMe, wherein Me is a metal atom selected from the group which consists of sodium or potassium, or a group --SO.sub.2 R.sup.6 in which R.sup.6 is alkyl having 1 to 4 carbon atoms, 4-methylphenyl, amino, C.sub.1 to C.sub.4 alkoxycarbonyl-amino, or benzoylamino, or R.sup.10 is a group ##STR2## in which R.sup.7 is cycloalkyl having 5 to 6 carbon atoms, and R is vinyl. The compounds are intermediates useful in the preparation of arylacetic acids having antiinflammatory compounds.

  公开了化合物的新配方(VIIIa) ##STR1## 其中R.sup.1是氢，甲基或乙基; R.sup.2是氢，氟或具有1至4个碳原子的烷基; R.sup.3是氢，苯基，具有1至6个碳原子的烷氧基; 苯氧基，硫代乙酰基或苯甲酰基; 或R.sup.2和R.sup.3与它们所附着的苯基一起形成一个萘基，该萘基未经取代或被C.sub.1至C.sub.4烷基或C.sub.1至C.sub.4烷氧基取代; R.sup.10是苯基氨甲酰基，1-苯基-5-四唑基，--SO.sub.2 OMe基团，其中Me是从钠或钾组成的金属原子所选的金属原子，或--SO.sub.2 R.sup.6基团，其中R.sup.6是具有1至4个碳原子的烷基，4-甲基苯基，氨基，C.sub.1至C.sub.4烷氧基羰基氨基或苯甲酰氨基，或R.sup.10是一个基团##STR2## 其中R.sup.7是具有5至6个碳原子的环烷基，而R是乙烯基。这些化合物是制备具有抗炎化合物的芳基乙酸的有用中间体。
• Process for the preparation of arylacetic acid derivatives
  申请人：Chinoin Gyogyszer es Vegyeszeti Termekek Gyara Rt

  公开号：US04465855A1

  公开（公告）日：1984-08-14

  Arylacetic acid derivatives of the formula ##STR1## with R.sup.1, R.sup.2 and R.sup.3 specifically defined and which are useful as antirheumatic and antiinflammatory pharmaceuticals are prepared by catalytic hydrogenation of new compounds of the formula ##STR2## in which R and R.sup.10 are also specifically defined. The method of making the latter compound is also set forth.

  化合物的公式为##STR1##，其中R.sup.1、R.sup.2和R.sup.3具有特定定义，并且这些化合物可用作抗风湿和抗炎药物，通过对新化合物进行催化加氢制备。新化合物的公式为##STR2##，其中R和R.sup.10也具有特定定义。本文还介绍了制备后一种化合物的方法。
• Process for preparing a biaryl compound
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20040158093A1

  公开（公告）日：2004-08-12

  A process for preparing an optically active biaryl compound the formula (4): 1 wherein R*, R 2 , R 3 , n 1 , n 2 and * are as defined hereinafter, which comprises reacting an aromatic sulfonic acid ester compound of the formula (1): 2 wherein R 1 is a substituted or unsubstituted alkyl or aryl group, R 2 is the same or different and represents a fluorine atom, a cyano group, a nitro group, a substituted or unsubstituted linear or branched alkyl group, etc., R* is the same or different and represents a substituent having at least one asymmetric carbon, or the substituents on the adjacent carbon atoms of the benzene ring may be bound each other and taken together with the benzene ring to form a fused polycyclic aromatic ring, and provided that R 1 is not a trifluoromethyl group, a nonafluorobutyl group or a pentafluorophenyl group, with an organic boron compound of the formula (2): 3 wherein R 3 is a substituted or unsubstituted aryl or heteroaryl group, and Q 1 and Q 2 are the same or different and each is a hydroxyl group, an alkoxy group having 1 to 4 carbon atoms, etc., at 70° C. or below in the presence of a nickel catalyst and a base.

  一种制备光学活性双芳基化合物的方法，其化学式为（4）：1，其中R*，R2，R3，n1，n2和*的定义如下，包括将化学式（1）的芳香磺酸酯化合物与化学式（2）的有机硼化合物在镍催化剂和碱存在下，在70°C以下反应，其中：化学式（1）中，R1为取代或未取代的烷基或芳基基团，R2相同或不同，表示氟原子、氰基、硝基、取代或未取代的直链或支链烷基等；R*相同或不同，表示具有至少一个不对称碳的取代基，或相邻苯环碳原子上的取代基可以彼此结合并与苯环一起形成螺环多环芳香环。但R1不是三氟甲基基团、九氟丁基基团或五氟苯基团；化学式（2）中，R3为取代或未取代的芳基或杂环芳基团，Q1和Q2相同或不同，分别为羟基、具有1到4个碳原子的烷氧基等。
• PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1481967A1

  公开（公告）日：2004-12-01

  A process for preparing an optically active biaryl compound the formula (4): wherein R*, R2, R3, n1, n2 and * are as defined hereinafter,which comprises reacting an aromatic sulfonic acid ester compound of the formula (1): wherein R1 is a substituted or unsubstituted alkyl or aryl group, R2 is the same or different and represents a fluorine atom, a cyano group, a nitro group, a substituted or unsubstituted linear or branched alkyl group, etc., R* is the same or different and represents a substituent having at least one asymmetric carbon, or the substituents on the adjacent carbon atoms of the benzene ring may be bound each other and taken together with the benzene ring to form a fused polycyclic aromatic ring, and provided that R1 is not a trifluoromethyl group, a nonafluorobutyl group or a pentafluorophenyl group, with an organic boron compound of the formula (2): wherein R3 is a substituted or unsubstituted aryl or heteroaryl group, and Q1 and Q2 are the same or different and each is a hydroxyl group, an alkoxy group having 1 to 4 carbon atoms, etc., at 70°C or below in the presence of a nickel catalyst and a base.

  一种制备具有光学活性的式 (4) 双芳基化合物的工艺： 其中 R*、R2、R3、n1、n2 和 * 如下文所定义，包括使式（1）的芳香族磺酸酯化合物反应： 其中 R1 是取代或未取代的烷基或芳基、 R2 相同或不同，代表氟原子、氰基、硝基、取代或未取代的直链或支链烷基等、 R* 相同或不同，代表至少有一个不对称碳的取代基，或者苯环相邻碳原子上的取代基可以相互结合，并与苯环一起形成融合的多环芳香环，只要 R1 不是三氟甲基、无氟丁基或五氟苯基，具有式（2）的有机硼化合物： 其中 R3 是取代或未取代的芳基或杂芳基，以及 Q1 和 Q2 相同或不同，且各自为羟基、具有 1 至 4 个碳原子的烷氧基等，在镍催化剂和碱存在下，于 70°C 或以下进行反应。
• Intermediate for preparing a biaryl compound
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2161254A1

  公开（公告）日：2010-03-10

  An optically active compound of formula (la'): wherein R10 is a substituted or unsubstituted alkyl or aryl group, R11 is a substituted or unsubstituted alkoxycarbonyl group, R12 is a hydrogen atom, R13 is a C1-C4 alkyl group, n11, n12 and n13 are each independently 0 or 1, the carbon atom marked with * is an asymmetric carbon atom, provided that R10 is not a trifluoromethyl group, a nonafluorobutyl group or a pentafluorophenyl group; and a process for preparing the same.

  式(la')的光学活性化合物： 其中 R10 是取代或未取代的烷基或芳基、 R11 是取代或未取代的烷氧羰基 R12 是氢原子 R13 是 C1-C4 烷基、 n11、n12 和 n13 各自独立地为 0 或 1、 标有 * 的碳原子是不对称碳原子、 条件是 R10 不是三氟甲基、无氟丁基或五氟苯基；以及制备该物质的工艺。