Benzenesulfonic acid, 2-methyl-, dihydrate | 68066-37-5

• 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: Benzenesulfonic acid, 2-methyl-, dihydrate
• 英文别名: 2-methylbenzenesulfonic acid;dihydrate
• CAS: 68066-37-5
• 化学式: C7H12O5S
• 分子量: 208.23
• InChiKey: YRMUCUFPXSOGTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.41
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  64.8
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• 13-Halo and 13-deoxy derivatives of modified milbemycin compounds and their preparation
  申请人：Merck & Co., Inc.

  公开号：EP0002615A2

  公开（公告）日：1979-06-27

  The invention provides novel compounds having the formula: where the broken line indicates a single or a double bond; R, is hydrogen or halogen; R2 is hydrogen, methyl or loweralkanoyl; R3 is n-propyl or sec-butyl; and R4 is present only when the broken line indicates a single bond and represents hydrogen, hydroxy, loweralkanoyloxy, loweralkylthio, loweralkylsulfinyl, loweralkylsulfonyl or loweralkoxy. These compounds are derivatives of C-076 compounds in which the 13-position is unsubstituted or halogen-substituted. The compounds are prepared by removing the glycosyl groups on the 13-position of the C-076 compounds isolated from the fermentation broth of Streptomyces avermitilis, followed by halogenation and, if desired, by subsequent removal of the halogen. The disclosed compounds are antiparasitic, anthelmintic, insecticidal and acaricidal agents and their use as such also forms part of the invention.

  本发明提供了具有以下式子的新型化合物： 其中断线表示单键或双键； R，是氢或卤素 R2 是氢、甲基或低级烷酰基 R3 是正丙基或仲丁基；以及 R4 仅在断线表示单键时存在，代表氢、羟基、低级烷酰氧基、低级烷硫基、低级烷基亚磺酰基、低级烷基磺酰基或低级烷氧基。这些化合物是 C-076 化合物的衍生物，其中 13 位未被取代或被卤素取代。这些化合物的制备方法是去除从阿维米利斯链霉菌（Streptomyces avermitilis）发酵液中分离出来的 C-076 化合物 13 位上的糖基，然后进行卤化，如果需要，再去除卤素。所公开的化合物是抗寄生虫、驱虫、杀虫和杀螨剂，其用途也是本发明的一部分。
• A process for preparing an optically active p-hydroxyphenyl-glycine or a salt thereof
  申请人：Tanabe Seiyaku Co., Ltd.

  公开号：EP0070114A1

  公开（公告）日：1983-01-19

  Optical resolution of a p-hydroxyphenylglycine salt such as p-hydroxyphenylglycine benzene sulphonate with simultaneous racemization of the undesired enantiomer thereof can be conducted by preferentially crystallizing out the desired enantiomer from a supersaturated solution of the racemic modification thereof in a lower aliphatic acid such as acetic acid in the presence of an aliphatic or aromatic aldehyde such as salicylaldehyde.

  对羟基苯甘氨酸盐（如对羟基苯甘氨酸苯磺酸盐）的光学解析及其非所需对映体的同时消旋化，可在脂肪族或芳香族醛（如水杨醛）存在的情况下，从其消旋改性物在低脂酸（如乙酸）中的过饱和溶液中优先结晶出所需对映体。
• Formation of hydroxyaromatic ketoacetal from an hydroxyaromatic methylketone and production of 5-(4'-hydroxyphenyl)hydantoin and D-p-hydroxyphenylglycine from 4-hydroxyacetophenone
  申请人：HOECHST CELANESE CORPORATION

  公开号：EP0437058B1

  公开（公告）日：1995-12-27
• BICYCLIC COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE
  申请人：Kinex Pharmaceuticals, LLC

  公开号：EP2038254A2

  公开（公告）日：2009-03-25
• US4309362A
  申请人：——

  公开号：US4309362A

  公开（公告）日：1982-01-05