(4-tert-Butylcyclohex-1-enyl)methanol | 54923-65-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (4-tert-Butylcyclohex-1-enyl)methanol
• 英文别名: 1,4(8)-p-menthadien-7-ol；t-Butyl-4-cyclohexen-methanol；(4-Tert-butylcyclohexen-1-yl)methanol
• CAS: 54923-65-8
• 化学式: C₁₁H₂₀O
• 分子量: 168.279
• InChiKey: KSNYFRVFJRLSDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (4-tert-Butylcyclohex-1-enyl)methanol 在 potassium osmate(VI) 甲基磺酰胺 、 potassium carbonate 、 戴斯-马丁氧化剂 、 对甲苯磺酸 、 lithium bromide 、 potassium hexacyanoferrate(III) 作用下， 以 二氯甲烷 、 叔丁醇 为溶剂， 反应 30.0h， 生成 (2R*,5S*)-5-tert-Butyl-2-hydroxy-2-[(methoxymethoxy)methyl]cyclohexan-1-one
  参考文献：
  名称：

  阐明非血红素铁依赖的儿茶酚双加氧酶的催化机理：氢过氧化物反应中间体的碳水化合物类似物的合成

  摘要：

  非血红素依赖铁的内二醇和外二醇儿茶酚双加氧酶的催化机理被认为涉及瞬时的氢过氧化物反应中间体，该中间体是由邻苯二酚底物与双氧反应形成的。描述了这些中间体的碳水化合物类似物的合成，其中氢过氧化物官能团（–OOH）被羟甲基（–CH 2 OH）取代，并且环己二酮骨架简化为环己酮。发现“近端”氢过氧化物的类似物（其中羟甲基相对于环轴向定位）充当了多余的二醇酶2,3-二羟基苯基丙酸酯1,2-二加氧酶的竞争性抑制剂（K i 0.7–7.6 mM）。 （MhpB）来自大肠杆菌，而羟甲基位于赤道的类似物则没有抑制作用。相反，测定与来自假单胞菌属物种的内二醇裂解的原儿茶酸3，4-二加氧酶的比较。仅显示含有赤道羟甲基基团的类似物（IC 50 9.5 mM）具有抑制作用。这些数据支持在二醇外儿茶酚二加氧酶机制中存在近端氢过氧化物中间体，并表明氢过氧化物反应中间体采用的构象可能是决定二醇外和二醇内双加氧酶反应特异性的重要决定因素。

  DOI：

  10.1039/b004265j
• 作为产物：
  描述：

  6-tert-butyl-1-oxaspiro[2.5]octane 在 二氯二茂钛 、 锰 、 potassium hydrogensulfate 作用下， 以 四氢呋喃 为溶剂， 以30%的产率得到(4-tert-Butylcyclohex-1-enyl)methanol
  参考文献：
  名称：

  Mixed disproportionation versus radical trapping in titanocene(III)-promoted epoxide openings

  摘要：

  The formation of either deoxygenation products or allylic alcohols from epoxides is observed when these Substrates are treated with CP2TiCl under anhydrous conditions. It seems that processes via trisubstituted radicals give allylic alcohols whereas processes via disubstituted radicals may give deoxygenation products or allylic alcohols depending on the Structure of the original epoxide. This method allows a controlled access to these functional groups, providing a useful tool in organic synthesis. A mechanistic discussion for these transformations is reported. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.10.038

文献信息

• Inhibitory Effect of Perillosides A and C, and Related Monoterpene Glucosides on Aldose Reductase and Their Structure-Activity Relationships.
  作者：Tomoyuki FUJITA、Kumiko OHIRA、Kazutaka MIYATAKE、Yoshihisa NAKANO、Mitsuru NAKAYAMA

  DOI：10.1248/cpb.43.920

  日期：——

  Monoterpene glucosides, perillosides A and C, obtained from the leaves of Perilla frutescens, were found to be inhibitors of aldose reductase (EC 1.1.1.21) which is considered to be a key enzyme in diabetic complications such as cataract. The apparent type of inhibition of rat lens aldose reductase by perillosides A and C was competitive with respect to glyceraldehyde and their Ki values were 1.4×10-4 and 2.3×10-4M, respectively. The type of inhibition by their tetraacetates was non-competitive with respect to the same substrate, although their inhibitory effects were increased by about one order of magnitude compared with those of the perillosides and the Ki values were 2.5×10-5 and 7.1×10-5M, respectively. We also prepared related monoterpene glucosides and their tetraacetates and determined their inhibitory activities towards aldose reductase in order to elucidate the relationship between structure and inhibitory activity.

  从紫苏（Perilla frutescens）叶中获得的单萜葡萄糖苷，紫苏苷A和C，被发现是醛糖还原酶（EC 1.1.1.21）的抑制剂，该酶被认为是糖尿病并发症如白内障的关键酶。紫苏苷A和C对大鼠晶状体醛糖还原酶的抑制作用相对于甘油醛是竞争性的，其Ki值分别为1.4×10-4和2.3×10-4M。它们的四乙酸酯对同一底物的抑制类型是非竞争性的，尽管其抑制效果比紫苏苷提高了大约一个数量级，Ki值分别为2.5×10-5和7.1×10-5M。我们还制备了相关的单萜葡萄糖苷及其四乙酸酯，并测定了它们对醛糖还原酶的抑制活性，以便阐明结构与抑制活性之间的关系。
• [EN] ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS<br/>[FR] DÉRIVÉS D'ARYLCARBOXAMIDE COMME BLOQUEURS DE TTX-S
  申请人：RAQUALIA PHARMA INC

  公开号：WO2011058766A1

  公开（公告）日：2011-05-19

  The present invention relates to aryl carboxamide derivatives of formula (I), wherein Ar1 is phenyl; Ar2 is aryl; n is 1-4; X is -O-, -S-, -SO- or -SO2-, a prodrug thereof or a pharmaceutically acceptable salt thereof, which have blocking activities of voltage gated sodium channels as the TTX-S channels, and which are useful in the treatment or prevention of such disorders and diseases as pain in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases as pain in which voltage gated sodium channels are involved.

  本发明涉及式（I）的芳基羧酰胺衍生物，其中Ar1为苯基；Ar2为芳基；n为1-4；X为-O-、-S-、-SO-或-SO2-，其前体药物或其药学上可接受的盐，具有作为TTX-S通道的电压门控钠通道的阻塞活性，并且在治疗或预防涉及电压门控钠通道的疾病和疾病中如疼痛等方面具有用途。该发明还涉及包含这些化合物的药物组合物以及这些化合物和组合物在预防或治疗涉及电压门控钠通道的疾病如疼痛中的用途。
• Copolymer having thickening and suspension properties
  申请人：COATEX

  公开号：US11208515B2

  公开（公告）日：2021-12-28

  (EN) The invention relates to the field involved in the production of aqueous compositions comprising rheology modifying agents, in particular the production of aqueous detergent or cosmetic compositions having improved, thickening and clarity properties, as well as good suspension properties. In particular, the invention relates to a rheology modifying agent which is a copolymer obtained by means of polymerisation of at least one crosslinking monomer with at least one anionic monomer comprising at least one polymerisable ethylenic unsaturation and at least one hydrophobic non-ionic monomer comprising at least one polymerisable ethylenic unsaturation.

  (EN) 本发明涉及包含流变修饰剂的水性组合物的生产领域，特别是具有改善、增稠和透明度特性以及良好悬浮特性的水性洗涤剂或化妆品组合物的生产。本发明尤其涉及一种流变修饰剂，它是由至少一种交联单体与至少一种阴离子单体（包含至少一种可聚合的乙烯不饱和度）和至少一种疏水性非离子单体（包含至少一种可聚合的乙烯不饱和度）聚合而成的共聚物。
• Picard,P.; Moulines,J., Bulletin de la Societe Chimique de France, 1974, p. 2256 - 2260
  作者：Picard,P.、Moulines,J.

  DOI：——

  日期：——
• Formation of 1,2-dioxetanes and probable trapping of an intermediate in the reactions of some enol ethers with singlet oxygen
  作者：E. W. H. Asveld、Richard M. Kellogg

  DOI：10.1021/ja00530a065

  日期：1980.5