3-phenoxypropane-1-sulfonyl chloride | 3384-05-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-phenoxypropane-1-sulfonyl chloride
• CAS: 3384-05-2
• 化学式: C₉H₁₁ClO₃S
• 分子量: 234.704
• InChiKey: KQQXONXRBRPWRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-phenoxypropane-1-sulfonyl chloride 在 四丁基氟化铵 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.5h， 生成 (S)-{1-[(3-phenoxypropyl)sulfonyl]pyrrolidin-2-yl}methanol
  参考文献：
  名称：

  Discovery of Bis-sulfonamides as Novel Inhibitors of Mitochondrial NADH-Quinone Oxidoreductase (Complex I)

  摘要：

  DOI：

  10.1021/acsmedchemlett.2c00504
• 作为产物：
  描述：

  苯酚 在 五氯化磷 、 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 17.0h， 生成 3-phenoxypropane-1-sulfonyl chloride
  参考文献：
  名称：

  Discovery of Bis-sulfonamides as Novel Inhibitors of Mitochondrial NADH-Quinone Oxidoreductase (Complex I)

  摘要：

  DOI：

  10.1021/acsmedchemlett.2c00504

文献信息

• NOVEL COMPOUND AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF
  申请人：Meiji Seika Pharma Co., Ltd.

  公开号：EP3409662A1

  公开（公告）日：2018-12-05

  A compound represented by the following general formula (I) or a pharmacologically acceptable salt thereof: [in the formula (I), A1 represents a methylene group or the like; A2 represents a methylene group or an oxygen atom; A3 represents an azetidinyl group, a pyrrolidinyl group, a piperidinyl group, a piperazinyl group, or a homopiperazinyl group which is optionally substituted with -N(R1)R2, -N(R1)R3, and/or -R3; A4 represents -O-, -S-, -S(O)-, -S(O)2-, or -N(R1)-; A5 represents an optionally substituted C3-10 cycloalkylalkyl group or the like; R4 represents a halogen atom or the like; and n represents an integer of 0 or 1].

  由以下通式 (I) 代表的化合物或其药理上可接受的盐： [在式 (I) 中，A1 代表亚甲基或类似物；A2 代表亚甲基或氧原子；A3 代表氮杂环丁基、吡咯烷基、哌啶基、哌嗪基或均哌嗪基，这些基团任选被 -N(R1)R2、-N(R1)R3 和/或 -R3 取代；A4 代表-O-、-S-、-S(O)-、-S(O)2- 或-N(R1)-； A5 代表任选被取代的 C3-10 环烷基烷基或类似基团； R4 代表卤原子或类似基团；以及 n 代表 0 或 1 的整数]。
• Exploiting Differences in Solution vs Solid-Supported Reactivity for the Synthesis of Sulfonic Acid Derivatives
  作者：Anitha Hari、Benjamin L. Miller

  DOI：10.1021/ol991163z

  日期：1999.12.1

  We describe a method herein for the protection of aryl and alkyl sulfonates during synthesis which employs commercially available Wang or MBOH resin, both of which terminate as benzyl alcohols, as both a protecting group and "traceless" linker. Given the known instability of benzylic sulfonate esters to nucleophilic displacement in solution, this linkage is surprisingly stable: no loss of either aryl or alkyl sulfonates is observed when the resin is exposed to a wide variety of organic bases and solvents at room temperature. Further elaboration of the resin-bound sulfonates via Suzuki coupling is also described.
• EP3409662
  申请人：——

  公开号：——

  公开（公告）日：——
• NOVEL COMPOUND AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF
  申请人：MEIJI SEIKA PHARMA CO., LTD.

  公开号：US20190047966A1

  公开（公告）日：2019-02-14

  A compound represented by the following general formula (I) or a pharmacologically acceptable salt thereof: [in the formula (I), A 1 represents a methylene group or the like; A 2 represents a methylene group or an oxygen atom; A 3 represents an azetidinyl group, a pyrrolidinyl group, a piperidinyl group, a piperazinyl group, or a homopiperazinyl group which is optionally substituted with —N(R 1 )R 2 , —N(R 1 )R 3 , and/or —R 3 ; A 4 represents —O—, —S—, —S(O)—, —S(O) 2 —, or —N(R 1 )—; A 5 represents an optionally substituted C 3-10 cycloalkylalkyl group or the like; R 4 represents a halogen atom or the like; and n represents an integer of 0 or 1].