3-Cyclohexyl-butan-1,3-diol | 68329-35-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Cyclohexyl-butan-1,3-diol
• 英文别名: 3-cyclohexyl-butane-1,3-diol；3-Cyclohexylbutane-1,3-diol
• CAS: 68329-35-1
• 化学式: C₁₀H₂₀O₂
• 分子量: 172.268
• InChiKey: OKHRXWYAQVJAED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 lithium aluminium tetrahydride 、 乙醚 作用下， 生成 3-Cyclohexyl-butan-1,3-diol
  参考文献：
  名称：

  Simple Analogs of the Antiarthritic Steroids¹

  摘要：

  DOI：

  10.1021/ja01646a047

文献信息

• Using urazole analogs of prostaglandins for bronchodilation
  申请人：Beecham Group Limited

  公开号：US04460595A1

  公开（公告）日：1984-07-17

  Compounds of the formula (I) ##STR1## wherein; n is 1 to 5 Y is --CH.sub.2 --CH.sub.2 or --CH.dbd.CH--; R.sub.1 is hydrogen or CO.sub.2 R.sub.1 represents an ester group in which the R.sub.1 moiety contains from 1-12 carbon atoms; R.sub.2 is hydrogen, C.sub.1-4 alkyl, or phenyl; R.sub.3 is hydroxy or protected hydroxy; R.sub.4 is hydrogen, C.sub.1-9 alkyl, C.sub.3-8 cycloalkyl, C.sub.3-8 cycloalkyl-C.sub.1-6 alkyl, phenyl, phenyl -C.sub.1-6 alkyl, naphthyl, naphthyl C.sub.1-6 alkyl, any of which phenyl moieties or naphthyl moieties may be substituted by one or more halogen trifluoromethyl, C.sub.1-6 alkyl, hydroxy, C.sub.1-6 alkoxy, phenyl C.sub.1-6 alkoxy or nitro groups; R.sub.5 is hydrogen, C.sub.1-6 alkyl, C.sub.5-8 cycloalkyl, phenyl, phenyl-C.sub.1-6 alkyl or phenyl C.sub.3-6 cycloalkyl, any of which phenyl moieties may be substituted by one or more halogen, trifluoromethyl, C.sub.1-6 alkyl, C.sub.1-6 alkoxy or nitro groups; or R.sub.2 and R.sub.4 taken with the carbon atom to which they are joined represent a C.sub.5-8 cycloalkyl group; and salts thereof are useful for their prostaglandin-like activity.

  化合物的公式（I）## STR1 ##其中; n为1到5，Y为--CH.sub.2--CH.sub.2或--CH.dbd.CH--; R.sub.1为氢或CO.sub.2 R.sub.1代表一个酯基，在其中R.sub.1基团含有1-12个碳原子; R.sub.2为氢，C.sub.1-4烷基或苯基; R.sub.3为羟基或保护羟基; R.sub.4为氢，C.sub.1-9烷基，C.sub.3-8环烷基，C.sub.3-8环烷基-C.sub.1-6烷基，苯基，苯基-C.sub.1-6烷基，萘基，萘基C.sub.1-6烷基，其中任何苯基基团或萘基基团均可被一个或多个卤素三氟甲基，C.sub.1-6烷基，羟基，C.sub.1-6烷氧基，苯基C.sub.1-6烷氧基或硝基基团取代; R.sub.5为氢，C.sub.1-6烷基，C.sub.5-8环烷基，苯基，苯基-C.sub.1-6烷基或苯基C.sub.3-6环烷基，其中任何苯基基团均可被一个或多个卤素，三氟甲基，C.sub.1-6烷基，C.sub.1-6烷氧基或硝基基团取代; 或R.sub.2和R.sub.4与它们连接的碳原子一起代表一个C.sub.5-8环烷基; 以及它们的盐对于它们的前列腺素样活性是有用的。
• Urazole analogs of prostaglandins
  申请人：Beecham Group Limited

  公开号：US04367338A1

  公开（公告）日：1983-01-04

  Compounds of formula (I) ##STR1## wherein: n is 1 to 5 Y is --CH.sub.2 --CH.sub.2 or --CH.dbd.CH--; R.sub.1 is hydrogen or CO.sub.2 R.sub.1 represents an ester group in which the R.sub.1 moiety contains from 1-12 carbon atoms; R.sub.2 is hydrogen, C.sub.1-4 alkyl, or phenyl; R.sub.3 is hydroxy or protected hydroxy; R.sub.4 is hydrogen, C.sub.1-9 alkyl, C.sub.3-8 cycloalkyl, C.sub.3-8 cycloalkyl-C.sub.1-6 alkyl, phenyl, phenyl --C.sub.1-6 alkyl, naphthyl, naphthyl C.sub.1-6 alkyl, any of which phenyl moieties or naphthyl moieties may be substituted by one or more halogen, trifluoromethyl, C.sub.1-6 alkyl, hydroxy, C.sub.1-6 alkoxy, phenyl C.sub.1-6 alkoxy or nitro groups; R.sub.5 is hydrogen, C.sub.1-6 alkyl, C.sub.5-8 cycloalkyl, phenyl, phenyl-C.sub.1-6 alkyl or phenyl C.sub.3-6 cycloalkyl, any of which phenyl moieties may be substituted by one or more halogen, trifluoromethyl, C.sub.1-6 alkyl, C.sub.1-6 alkoxy or nitro groups; or R.sub.2 and R.sub.4 taken with the carbon atom to which they are joined represent a C.sub.5-8 cycloalkyl group; and salts thereof are useful for their prostaglandin-like activity.

  化合物的式子(I) ##STR1## 其中：n为1到5；Y为--CH.sub.2 --CH.sub.2或--CH.dbd.CH--；R.sub.1为氢或CO.sub.2 R.sub.1代表一个酯基，在该酯基中，R.sub.1基团含有1-12个碳原子；R.sub.2为氢，C.sub.1-4烷基或苯基；R.sub.3为羟基或保护羟基；R.sub.4为氢，C.sub.1-9烷基，C.sub.3-8环烷基，C.sub.3-8环烷基-C.sub.1-6烷基，苯基，苯基--C.sub.1-6烷基，萘基，萘基-C.sub.1-6烷基，其中任何一个苯基基团或萘基基团可以被一个或多个卤素，三氟甲基，C.sub.1-6烷基，羟基，C.sub.1-6烷氧基，苯基-C.sub.1-6烷氧基或硝基基团取代；R.sub.5为氢，C.sub.1-6烷基，C.sub.5-8环烷基，苯基，苯基-C.sub.1-6烷基或苯基-C.sub.3-6环烷基，其中任何一个苯基基团可以被一个或多个卤素，三氟甲基，C.sub.1-6烷基，C.sub.1-6烷氧基或硝基基团取代；或R.sub.2和R.sub.4与它们连接的碳原子一起代表一个C.sub.5-8环烷基；及其盐对于其类前列腺素活性是有用的。
• US4367338A
  申请人：——

  公开号：US4367338A

  公开（公告）日：1983-01-04
• US4460595A
  申请人：——

  公开号：US4460595A

  公开（公告）日：1984-07-17