2-benzothiazol-2-ylsulfanyl-cyclohexanol | 75219-17-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-benzothiazol-2-ylsulfanyl-cyclohexanol
• 英文别名: 2-(2-benzothiazoylthio)-cyclohexanol；2-< 2-Hydroxy-cyclohexylmercapto >-benzothiazol；2-(2-Hydroxycyclohexylthio)-benzothiazol；2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexan-1-ol
• CAS: 75219-17-9
• 化学式: C₁₃H₁₅NOS₂
• mdl: MFCD03997389
• 分子量: 265.4
• InChiKey: IPCPHLYCAQONTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  86.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  对甲氧基苯异氰酸酯 、 2-benzothiazol-2-ylsulfanyl-cyclohexanol 以 正庚烷 为溶剂， 反应 6.0h， 生成 (4-methoxy-phenyl)-carbamic acid 2-benzothiazol-2-ylsulfanyl-cyclohexyl ester
  参考文献：
  名称：

  Derivatives of 2-Benzothiazolesulfenamides. I. Novel Method for Preparation of N-Substituted Benzothiazolesulfenamides

  摘要：

  DOI：

  10.1021/jo01067a101
• 作为产物：
  描述：

  2-氯环己酮 在 氢氧化钾 、 sodium tetrahydroborate 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 4.0h， 生成 2-benzothiazol-2-ylsulfanyl-cyclohexanol
  参考文献：
  名称：

  Derivatives of 2-Benzothiazolesulfenamides. I. Novel Method for Preparation of N-Substituted Benzothiazolesulfenamides

  摘要：

  DOI：

  10.1021/jo01067a101

文献信息

• Esterase-sensitive sulfur dioxide prodrugs inspired by modified Julia olefination
  作者：Wenyi Wang、Binghe Wang

  DOI：10.1039/c7cc05392d

  日期：——

  dioxide (SO2) is an endogenously produced gaseous molecule, and is emerging as a potential gasotransmitter. Herein, we describe the first series of esterase-sensitive prodrugs inspired by modified Julia olefination as SO2 donors.

  二氧化硫（SO 2）是一种内生的气态分子，并正在以潜在的气体传输剂形式出现。在本文中，我们描述了第一批酯酶敏感的前药，该药受改性的Julia烯烃作为SO 2供体的启发。
• Exploration of <i>trans</i> ‐2‐(azaarylsulfanyl)‐cyclohexanols as potential pH‐triggered conformational switches
  作者：Mulinde R. Ruyonga、Oscar Mendoza、Michael Browne、Vyacheslav V. Samoshin

  DOI：10.1002/poc.4068

  日期：2020.7

  A series of trans‐2‐(azaarylsulfanyl)‐cyclohexanols, structurally similar to previously studied trans‐2‐aminocylohexanols, have been synthesized and explored as conformational pH triggers. 1H NMR spectroscopy was used to estimate the position of the chair‐chair conformational equilibrium and its acid‐induced shift towards the conformer with the azaarylsulfanyl and hydroxy groups in equatorial positions

  已合成了一系列结构与先前研究的反式-2-氨基环己醇类似的反式-2-（氮杂芳基硫烷基）环己醇，并将其作为构象pH引发剂进行了探索。1 H NMR光谱用于估计椅子-椅子构象平衡的位置，以及由于分子内氢键和静电相互作用，其酸诱导的赤道位置具有氮杂芳基硫烷基和羟基的构象转变。这种酸诱导的转变可用于控制与几何有关的分子特性。的1条1 H NMR滴定曲线用于p的估计ķ一个从2.8变化到4.3质子化化合物的值（以d 4-甲醇），取决于氮杂芳基硫烷基的结构。
• Reaction products of mercaptobenzothiazoles, mercaptothiazolines, and mercaptobenzimidazoles with epoxides as lubricant additives
  申请人：Rowland G. Robert

  公开号：US20050037931A1

  公开（公告）日：2005-02-17

  A composition is disclosed that comprises: (A) a lubricant, and (B) at least one compound selected from the group consisting of alcohols of the formulae: wherein Y is N, O, or S; R 1 , R 2 , R 3 , and R 4 are independently selected from the group consisting of hydrogen, alkyl, cycloalkyl, alkenyl, alkaryl, aryl, alkoxy, and alkyl ester; R 5 is selected from the group consisting of hydrogen, alkyl, alkoxy, a carboxy alkyl group of the structure: (CH 2 ) p CO 2 R 9 where: p is from 1 to 18, and R 9 is hydrocarbyl; R 7 is selected from the group consisting of hydrogen, CH 2 OR 11 , alkyl, and alkenyl, wherein: said alkyl and alkenyl groups are optionally substituted with OH, oxirane, or X; R 11 is selected from the group consisting of alkyl of from 1 to 36 carbon atoms, alkaryl of from 6 to about 50 carbon atoms, and aryl, and may contain ether or ester functionalities; X is of the structure: or R 5 and R 7 are fused together to form a ring of 3-10, preferably 5 or 6, carbon atoms, which may be further substituted with alkyl, cycloalkyl, alkenyl, aryl, or alkoxy groups, and may contain ether or ester functionalities, and R 6 and R 8 are independently selected from the group consisting of hydrogen, alkyl, cycloalkyl, alkenyl, aryl, and alkoxy.

  揭示了一种包括：（A）润滑剂和（B）选自以下羟基化合物组合的至少一种化合物的组成物：其中Y为N、O或S；R1、R2、R3和R4独立地选自氢、烷基、环烷基、烯烃基、烷基芳基、芳基、烷氧基和烷基酯基组合的群；R5选自氢、烷基、烷氧基、结构为(CH2)pCO2R9的羧基烷基组（其中：p为1至18，R9为烃基）；R7选自氢、CH2OR11、烷基和烯烃基，其中：所述烷基和烯烃基可以选择性地用OH、环氧乙烷或X取代；R11选自由1至36个碳原子的烷基、由6至约50个碳原子的烷基芳基和芳基组成的组合，并且可能含有醚或酯官能团；X的结构为：或R5和R7被融合在一起形成由3-10个、优选5或6个碳原子的环，该环可能进一步用烷基、环烷基、烯烃基、芳基或烷氧基取代，并且可能含有醚或酯官能团，R6和R8独立地选自氢、烷基、环烷基、烯烃基、芳基和烷氧基组合的群。
• REACTIONS PRODUCTS OF MERCAPTOBENZOTHIAZOLES, MERCAPTOTHIAZOLINES, AND MERCAPTOBENZIMIDAZOLES WITH EPOXIDES AS LUBRICANT ADDITIVES
  申请人：CHEMTURA CORPORATION

  公开号：EP1654342A1

  公开（公告）日：2006-05-10
• REACTION PRODUCTS OF MERCAPTOBENZOTHIAZOLES, MERCAPTOTHIAZOLINES, AND MERCAPTOBENZIMIDAZOLES WITH EPOXIDES AS LUBRICANT ADDITIVES
  申请人：CHEMTURA CORPORATION

  公开号：EP1654342B1

  公开（公告）日：2011-01-19