5-methylbenzo[d][1,3]oxathiol-2-one | 15062-74-5

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 5-methylbenzo[d][1,3]oxathiol-2-one
• 英文别名: 5-methyl-1,3-benzoxathiol-2-one；5-methyl-benzo[1,3]oxathiol-2-one；5-methyl-benz[1,3]oxathiol-2-one；5-Methyl-benz[1,3]oxathiol-2-on
• CAS: 15062-74-5
• 化学式: C₈H₆O₂S
• 分子量: 166.2
• InChiKey: XHCMJNIDHLSPJW-UHFFFAOYSA-N

物化性质

• 熔点：
  83-84 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  295.9±33.0 °C(Predicted)
• 密度：
  1.364±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-methylbenzo[d][1,3]oxathiol-2-one 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 0.25h， 以83%的产率得到4-methyl-2-mercaptophenol
  参考文献：
  名称：

  Regiocontrolled Carbonylsulfanylations at ortho-Position of Phenols and at α-Position of Ketones Using Chlorocarbonylsulfenyl Chloride

  摘要：

  DOI：

  10.3987/com-98-s(h)23
• 作为产物：
  描述：

  4-Hydroxy-3-thiocyanato-toluol 在 盐酸 作用下， 生成 5-methylbenzo[d][1,3]oxathiol-2-one
  参考文献：
  名称：

  Arzneimittelsynthetische Studien IV. Synthese schwefelhaltiger Verbindungen

  摘要：

  DOI：

  10.1002/ardp.19292670304

文献信息

• DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT
  申请人：Kohno Yasushi

  公开号：US20120101068A1

  公开（公告）日：2012-04-26

  Provided are diphenyl sulfide derivatives which have excellent S1P3 antagonistic activity and are useful as drugs. Intensive studies have been made for the purpose of creating a compound having S1P3 antagonistic activity. As a result of the intensive studies, it has been found that diphenyl sulfide derivatives represented by general formula (1) have excellent S1P3 antagonistic activity. In general formula (1), R 1 is a hydrogen atom or the like; R 2 is an optionally substituted alkyl group having 1 to 6 carbon atoms, or the like; X is a methylene group which may be substituted with one or two fluorine atoms, or the like; Y is a hydrogen atom or the like; and Z is a halogen atom.

  提供了具有优异S1P3拮抗活性并且可用作药物的二苯基硫醚衍生物。为了创造具有S1P3拮抗活性的化合物，进行了深入研究。经过深入研究，发现由通式（1）表示的二苯基硫醚衍生物具有优异的S1P3拮抗活性。在通式（1）中，R1是氢原子或类似物；R2是具有1至6个碳原子的可选择取代的烷基基团或类似物；X是一个甲基基团，可能被一个或两个氟原子取代，或类似物；Y是氢原子或类似物；Z是卤素原子。
• DIPHENYL SULFIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT WHICH CONTAINS SAME AS ACTIVE INGREDIENT
  申请人：Ishikawa Kumi

  公开号：US20130261089A1

  公开（公告）日：2013-10-03

  [Problem] To provide a diphenyl sulfide derivative which is useful as a pharmaceutical product that has excellent S1P3 antagonist activity. [Solution] The inventors have discovered that a diphenyl sulfide derivative represented by general formula (1) (wherein R1 represents an alkoxy group having 1-6 carbon atoms, R2 represents a propyl group or an allyl group, X represents methylene or an oxygen atom, and Z represents a halogen atom) has excellent S1P3 antagonist activity as a result of extensive researches for the production of a compound that has S1P3 antagonist activity.

  提供一种二苯硫醚衍生物，作为一种具有优异S1P3拮抗活性的药用产品。发明者发现，通过对具有S1P3拮抗活性的化合物的生产进行广泛研究，一种由通式（1）表示的二苯硫醚衍生物（其中R1代表具有1-6个碳原子的烷氧基，R2代表丙基基团或烯丙基团，X代表亚甲基或氧原子，Z代表卤素原子）具有优异的S1P3拮抗活性。
• Fluorine-Containing Sulfonic Acid Salt, Fluorine-Containing Sulfonic Acid Salt Resin, Resist Composition, and Pattern Forming Method Using Same
  申请人：Central Glass Company, Limited

  公开号：US20150198879A1

  公开（公告）日：2015-07-16

  Disclosed is a fluorine-containing sulfonic acid salt resin having a repeating unit represented by the following general formula (3). In the formula, each A independently represents a hydrogen atom, a fluorine atom or a trifluoromethyl group, and n represents an integer of 1-10. W represents a bivalent linking group, R 01 represents a hydrogen atom or a monovalent organic group, and M + represents a monovalent cation. A resist composition containing this resin is further superior in sensitivity, resolution and reproducibility of mask pattern and is capable of forming a pattern with a low LER.

  本公开了一种含氟磺酸盐树脂，其具有以下通用式（3）所代表的重复单元。在该式中，每个A独立地表示氢原子、氟原子或三氟甲基基团，n表示1-10的整数。W表示二价连接基团，R01表示氢原子或一价有机基团，M+表示一价阳离子。含有该树脂的抗蚀组合物在感光性、分辨率和掩膜图案的重现性方面更加优越，并且能够形成具有较低LER的图案。
• ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS
  申请人：TECHNISCHE UNIVERSITÄT BERLIN

  公开号：US20150376120A1

  公开（公告）日：2015-12-31

  Antibiotically active compounds characterized by general formula (I), wherein X1, BB, BC, BD, BE and X2 are building blocks with D1, D2, D3, D4 or D5 being linkers which include carbon, sulphur, nitrogen, phosphor and/or oxygen atoms and which are covalently connecting the moities BA and BB, BB and BC, BC and BD, BD and BE and BE and BF, respectively, and wherein in particular the building block BC comprises an amino acid derivative. The compounds for use in a method of treatment of diseases, in particular for use in a method of treatment of bacterial infections are also disclosed.

  具有一般式（I）的抗生素活性化合物的特征，其中X1、BB、BC、BD、BE和X2是具有D1、D2、D3、D4或D5连接器的构建块，包括碳、硫、氮、磷和/或氧原子，并且共价连接BA和BB、BB和BC、BC和BD、BD和BE以及BE和BF的基团，其中特别是构建块BC包括一种氨基酸衍生物。该化合物用于治疗疾病的方法，特别是用于治疗细菌感染的方法。
• Zincke; Arnold, Chemische Berichte, 1917, vol. 50, p. 119
  作者：Zincke、Arnold

  DOI：——

  日期：——