3,4-Dihydroxycyclohexane-1-carbaldehyde | 1373019-19-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,4-Dihydroxycyclohexane-1-carbaldehyde
• CAS: 1373019-19-2
• 化学式: C₇H₁₂O₃
• 分子量: 144.17
• InChiKey: SKXZCWMNJNMECO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,4-Dihydroxycyclohexane-1-carbaldehyde 在 potassium carbonate 、 sodium hydrogensulfite 作用下， 以 水 、 正丁醇 为溶剂， 反应 1.75h， 生成 4-(hydroxy(5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)methyl)cyclohexane-1,2-diol
  参考文献：
  名称：

  Novel 4H-1,2,4-triazol-3-yl cycloalkanols as potent antitubercular agents

  摘要：

  Enzymes of shikimate pathway, dehydroquinase and shikimate kinase represent comparatively newer targets for antitubercular research. Molecular hybridization approach was implemented by integrating the essential features of inhibitors acting on these enzymes of shikimate pathway. Considering the flexibility of alicyclic ring of reported dehydroquinase (DHQ) inhibitors and triazole ring, key feature of the virtual hits of Mtb shikimate kinase, a series of structurally novel, substituted 4H-1,2,4-triazol-3-yl cycloalkanols were designed as antimycobacterial agents. Docking studies of the molecules was carried out on the enzyme DHQ. All the synthesized compounds exhibited promising activity (MIC 0.59-15.5 mu g/ml) against H(37)Rv strains of Mycobacterium tuberculosis using resazurin microtiter assay. Five of the evaluated compounds exhibit MIC < 1 mu g/ml. CC50 values indicate compounds are non-toxic, with selectivity indices >28. These compounds could serve as leads for further optimization to obtain novel antimycobacterial agents.

  DOI：

  10.1007/s00044-012-0043-9

文献信息

• A salt suitable for an acid generator and a chemically amplified resist composition containing the same
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1873143A1

  公开（公告）日：2008-01-02

  The present invention provides a salt of the formula (L) wherein Q represents -CO- group or -C(OH)- group; ring X represents monocyclic or polycyclic hydrocarbon group having 3 to 30 carbon atoms in which a hydrogen atom is substituted by a hydroxyl group at Q position when Q is -C(OH)- group or in which two hydrogen atoms are substituted by =O group at Q position when Q is -CO- group, and at least one hydrogen atom in the monocyclic or polycyclic hydrocarbon group may optionally be substituted by an alkyl group having 1 to 6 carbon atoms, alkoxy group having 1 to 6 carbon atoms, perfluoroalkyl group having 1 to 4 carbon atoms, hydroxyalkyl group having 1 to 6 carbon atoms, hydroxyl group or cyano group; R10 and R20 each independently represent fluorine atom or perfluoroalkyl group having 1 to 6 carbon atoms; and A+ represents organic counter ion. The present invention also provides a chemically amplified resist composition comprising the salt of the formula (L).

  本发明提供了一种式 (L) 的盐 其中 Q 代表-CO-基团或-C(OH)-基团；环 X 代表具有 3 至 30 个碳原子的单环或多环烃基；当 Q 为-C(OH)-基团时，其中一个氢原子在 Q 位被羟基取代；当 Q 为-CO-基团时，其中两个氢原子在 Q 位被 =O 基团取代、单环或多环烃类基团中的至少一个氢原子可选择被 1 至 6 个碳原子的烷基、1 至 6 个碳原子的烷氧基、1 至 4 个碳原子的全氟烷基、1 至 6 个碳原子的羟烷基、羟基或氰基取代；R10 和 R20 各自独立地代表氟原子或具有 1 至 6 个碳原子的全氟烷基；以及 A+ 代表有机反离子。 本发明还提供了一种包含式（L）盐的化学放大抗蚀剂组合物。
• Carbostyril derivatives
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP0382185B1

  公开（公告）日：1994-06-15
• OXYTOCIN ANTAGONIST
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP0602209A1

  公开（公告）日：1994-06-22
• US5225402A
  申请人：——

  公开号：US5225402A

  公开（公告）日：1993-07-06
• US5436254A
  申请人：——

  公开号：US5436254A

  公开（公告）日：1995-07-25