3-(4-methoxycyclohexyl)-4-methylbenzenesulfonate | 111859-02-0

• 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: 3-(4-methoxycyclohexyl)-4-methylbenzenesulfonate
• 英文别名: cis-4-methoxycyclohexyl tosylate；cis-4-Methoxy-cyclohexanol-p-toluolsulfonat；cis-4-Methoxy-cyclohexyl-tosylat；cis-4-Methoxy-cyclohexanol-(1)-p-toluolsulfonat；cis-1-methoxy-4-(toluene-4-sulfonyloxy)-cyclohexane；Toluol-sulfonsaeure-(4)-(cis-4-methoxy-cyclohexylester)；cis-1-Methoxy-4-(toluol-4-sulfonyloxy)-cyclohexan
• CAS: 111859-02-0
• 化学式: C₁₄H₂₀O₄S
• 分子量: 284.376
• InChiKey: MCKGEVKBOAALFC-BETUJISGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.66
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3-(4-methoxycyclohexyl)-4-methylbenzenesulfonate 在 manganese(II) chloride tetrahydrate 、 水 、 间氯过氧苯甲酸 、 4,4',4''-三叔丁基2,2',6'2''-曲吡啶 作用下， 以 乙腈 为溶剂， 反应 4.0h， 以63%的产率得到4-氧代环己烷-1-醇对甲苯磺酸酯
  参考文献：
  名称：

  锰催化剂合成羰基化合物的统一氧化方案

  摘要：

  我们已经开发出用于将醚，苄基化合物和醇氧化为羰基化合物的统一协议。该方案使用催化量的四水合氯化锰（II）和4,4'，4'-三（叔丁基）-2,2'：6'，2''-吡啶和化学计量的任何一种间氯过苯甲酸（MCPBA）或过氧硫酸氢钾（KHSO 5）。由Mn催化剂和MCPBA组成的试剂体系使烷基醚和苄基化合物的化学选择性sp³CH氧化生成相应的酮。或者，水溶性无机盐KHSO 5与Mn催化剂结合使用可将醇氧化为酮或羧酸。重要的是，Mn催化剂/ KHSO 5系统消除了与分离羧酸产物相关的技术难题。本专题文章中提出的所有氧化反应均在有氧气氛中于低于环境温度的温度下进行，因此可用于复杂有机分子的实际合成中。 催化-氧化-醚-醇-酮-羧酸

  DOI：

  10.1055/s-0029-1218809
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 生成 3-(4-methoxycyclohexyl)-4-methylbenzenesulfonate
  参考文献：
  名称：

  Notes- Studies of Configuration. VI. cis-and trans-4-Methoxycyclohexanol

  摘要：

  DOI：

  10.1021/jo01072a602

文献信息

• Compounds Which Selectively Modulate The CB2 Receptor
  申请人：BARTOLOZZI Alessandra

  公开号：US20100076029A1

  公开（公告）日：2010-03-25

  Compounds of formula (I) are disclosed. Compounds according to the invention bind to and are agonists, antagonists or inverse agonists of the CB2 receptor, and are useful for treating inflammation. Those compounds which are agonists are additionally useful for treating pain.

  公式（I）的化合物已被披露。根据本发明的化合物与CB2受体结合，并且是CB2受体的激动剂、拮抗剂或反向激动剂，可用于治疗炎症。那些是激动剂的化合物还可用于治疗疼痛。
• Esters of dihydrolysergic acid
  申请人：ELI LILLY AND COMPANY

  公开号：EP0219257A2

  公开（公告）日：1987-04-22

  Compounds of the formula wherein R is primary or secondary C₁-C₈ alkyl, C₂-C₄ alkenyl-CH₂, C₃-C₈ cycloalkyl or C₃-C₆ cycloalkyl-­substituted C₁-C₅ primary or secondary alkyl, the total number of carbon atoms in R not to exceed 8; R¹ is allyl, H, or C₁-C₄ straight chain alkyl, and R² is C₁-C₃ alkoxy-C₅-C₇ cycloalkyl; a primary or secondary C₁-C₃ alkoxy-C₂-C₆-alkyl or di(C₁-C₃ alkoxy)-C₂-C₆alkyl; C₃-C₇ ketoalkyl; or C₅-C₇ cycloalkyl or keto-substituted C₅-C₇ cycloalkyl; or 4-hydroxycyclohexyl; or a pharma­ceutically-acceptable salt thereof, are useful as 5HT₂ receptor antagonists.

  式中的化合物 其中 R 是伯或仲 C₁-C₈ 烷基、C₂-C₄ 烯基-CH₂、C₃-C₈ 环烷基或 C₃-C₆ 环烷基取代的 C₁-C₅ 伯或仲烷基，R 中的碳原子总数不超过 8；R¹ 是烯丙基、H 或 C₁-C₄ 直链烷基，R² 是 C₁-C₃ 烷氧基-C₅-C₇ 环烷基；C₁-C₃烷氧基-C₂-C₆烷基或二(C₁-C₃烷氧基)-C₂-C₆烷基； C₃-C₇酮烷基；或 C₅-C₇环烷基或酮取代的 C₅-C₇环烷基；或 4-羟基环己基；或其药学上可接受的盐，可用作 5HT₂ 受体拮抗剂。
• (8.beta.)-Ergoline-8-carboxylic acid cycloalkyl esters as serotonin antagonists: structure-activity study
  作者：William L. Garbrecht、Gifford Marzoni、Kathleen R. Whitten、Marlene L. Cohen

  DOI：10.1021/jm00397a030

  日期：1988.2

  A series of (8 beta)-6-methyl-1-(1-methylethyl)ergoline-8-carboxylic acid cycloalkyl esters were prepared and examined for blockade of vascular 5HT2 receptors. The antagonist in this series that had the highest 5HT2 receptor affinity was (8 beta)-6-methyl-1-(1-methylethyl)ergoline-8-carboxylic acid cyclohexyl ester. This compound was therefore chosen as the basic backbone of a structure-activity study to determine what effect different N1-substituents, N6-substituents, and ester ring substituents had on 5HT2 receptor affinity. Maximal 5HT2 receptor affinity was obtained when the N1-substituent was isopropyl, the N6-substituent was methyl, and there was a hydroxy or keto substituent in the 4-position of the ester cyclohexyl ring.
• �ber ?-[p-Methoxy-cyclohexyl]-butters�ure
  作者：Paul Ruggli、Albert Businger

  DOI：10.1002/hlca.19410240150

  日期：——
• Women’s work in census and survey, 1911-1931
  作者：Timothy J. Hatton、Roy E. Bailey

  DOI：10.1111/1468-0289.00185

  日期：2001.2

  While it has long been believed that prewar censuses undercounted women's labour force participation, a paucity of independent evidence has constrained the evaluation of potential biases. This article compares participation rates derived from social surveys with censuses for the same towns between 1911 and 1931. The participation rates for women are uniformly lower in the social surveys than in the censuses. An analysis of 35 London boroughs indicates that some of the discrepancy can be explained by differences in the coverage of domestic servants, unemployed, own-account, and part-time workers. Overall there is little evidence that the census undercounted women's work.