Dimethyl 2-[N-3'-hydroxy-3'-methyl-n-decyl]aminoazelate | 68312-61-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Dimethyl 2-[N-3'-hydroxy-3'-methyl-n-decyl]aminoazelate
• 英文别名: dimethyl 2-[(3-hydroxy-3-methyldecyl)amino]nonanedioate
• CAS: 68312-61-8
• 化学式: C₂₂H₄₃NO₅
• 分子量: 401.587
• InChiKey: TUYQKSSHFZVDAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.13
• 重原子数：
  28.0
• 可旋转键数：
  18.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  84.86
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  Dimethyl 2-[N-3'-hydroxy-3'-methyl-n-decyl]aminoazelate 、 异氰酸甲酯 生成 methyl 7-[5-(3-hydroxy-3-methyldecyl)-3-methyl-2,4-dioxoimidazolidin-1-yl]heptanoate
  参考文献：
  名称：

  WOOTTON, G.

  摘要：

  DOI：

文献信息

• 1-(3-Hydroxyalk-1-yl)-5-(carboxyalkyl)hydantoin derivatives
  申请人：Beecham Group Limited

  公开号：US04147796A1

  公开（公告）日：1979-04-03

  A compound of formula (I): ##STR1## wherein: X is O or S; n is 1 to 8; 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 cyclo alkyl-C.sub.1-6 alkyl, phenyl, phenyl C.sub.1-6 alkyl, naphthyl, naphthyl-C.sub.1-6 -alkyl, any of which phenyl 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; 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; R.sub.5 is C.sub.1-6 alkyl, C.sub.1-6 alkyl substituted by a nitro, hydroxy, C.sub.1-6 alkoxy, CO.sub.2 A, (CO.sub.2 A).sub.2, CN or halogen group, C.sub.5-8 cycloalkyl, phenyl, phenyl, phenyl-C.sub.1-6 alkyl, 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 a group CO.sub.2 A; in R.sub.5 when present A is hydrogen or CO.sub.2 A represents an ester group in which the A moiety contains from 1 to 12 carbon atoms; and salts thereof; has useful pharmacological activity.

  公式（I）的化合物：其中：X为O或S；n为1到8；R.sub.1为氢，或CO.sub.2 R.sub.1代表一个酯基，其中R.sub.1部分含有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，其中苯基或萘基可能被一个或多个卤素，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烷氧基或硝基取代；或者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环烷基基团；R.sub.5为C.sub.1-6烷基，C.sub.1-6烷基被硝基，羟基，C.sub.1-6烷氧基，CO.sub.2 A，（CO.sub.2 A）.sub.2，CN或卤素基团取代，C.sub.5-8环烷基，苯基，苯基-C.sub.1-6烷基，苯基-C.sub.3-6环烷基，其中苯基可能被一个或多个卤素，三氟甲基，C.sub.1-6烷基，C.sub.1-6烷氧基或硝基取代；或者一个CO.sub.2 A基团；在R.sub.5中，当存在A时，A为氢或CO.sub.2 A代表一个酯基，其中A部分含有1到12个碳原子；及其盐；具有有用的药理活性。