5(1H)-喹啉酮,2,3,4,6,7,8-六氢-7,7-二甲基- | 1010-82-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 5(1H)-喹啉酮,2,3,4,6,7,8-六氢-7,7-二甲基-
• 英文名称: 7,7-dimethyl-1,2,3,4,5,6,7,8-octahydro-5-oxoquinoline
• 英文别名: 2,3,4,6,7,8-hexahydro-7,7-dimethyl-5(1H)-quinolinone；7,7-Dimethyl-octahydro-Δ^4a(8a)-chinolin-5-on；7,7-dimethyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one；7,7 Dimethyl-1,2,3,4,7,8-hexahydro-quinolin5(6H)-one；7,7-dimethyl-1,2,3,4,6,8-hexahydroquinolin-5-one
• CAS: 1010-82-8
• 化学式: C₁₁H₁₇NO
• 分子量: 179.262
• InChiKey: UKUDDGOWCUCRFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933499090

反应信息

• 作为反应物：
  描述：

  5(1H)-喹啉酮,2,3,4,6,7,8-六氢-7,7-二甲基- 在 manganese triacetate 作用下， 以 苯 为溶剂， 反应 0.33h， 以65%的产率得到7,7-dimethyl-7,8-dihydroquinolin-5(6H)-one
  参考文献：
  名称：

  Mn(OAc)3-Based α’-Oxidative Acetoxylation of N-Trifluoroacetyl Vinylogous Amides

  摘要：

  Vinylogous amides 1 and 11 are oxidized by dried Mn(OAc)(3) in benzene at 90 degrees C to pyridines 5 and 12, respectively, whereas the analogous N-trifluoroacetyl vinylogous amides 6 and 13 are oxidized by dried Mn(OAc)(3) in benzene at 120 degrees C to give acetates 7 and 14. The alpha'-oxo radicals that are generated in this oxidation cyclize to proximal double bonds to give tricylic alkenes such as 20.

  DOI：

  10.3987/com-12-s(n)95
• 作为产物：
  描述：

  3-溴丙胺氢溴酸盐 、 5,5-二甲基-1,3-环己二酮 在 2,6-二甲基吡啶 作用下， 以 正丁醇 为溶剂， 反应 1.67h， 以11%的产率得到5(1H)-喹啉酮,2,3,4,6,7,8-六氢-7,7-二甲基-
  参考文献：
  名称：

  WO2008/24961

  摘要：

  公开号：

文献信息

• Sunscreen compositions and compounds for use therein
  申请人：——

  公开号：US05000946A1

  公开（公告）日：1991-03-19

  The invention relates to sunscreen compositions comprising an effective component at least one compound of formula I ##STR1## wherein R.sup.1 is selected from alkyl, alkenyl, alkynyl substituted alkyl, substituted alkenyl, phenyl, substituted phenyl, substituted benzyl, cycloalkyl, cycloalkenyl, substituted cycloalkyl, substituted cycloalkenyl and polymeric groups; R.sup.2 is selected from hydrogen, alkyl and alkoxy; and wherein R.sup.1 and R.sup.2 may form a carbocyclic ring which may be substituted; R.sup.3 is selected from alkyl, sustituted alkyl, alkenyl, substituted alkenyl, alkynyl, phenyl, benzoyl, substituted phenyl, substituted benzyl, substituted benzoyl, cycloalkyl, substituted cycloalkyl, cycloalkenyl, substituted cycloalkenyl, alkanyoyl, substituted alkanoyl, polymeric groups, the group OROROR.sup.9 wherein R is a bivalent hydrocarbon radical and R.sup.9 is alkyl, alkenyl, phenyl benzyl, substituted phenyl, substituted benzyl; R.sup.4 is alkyl or alkoxy; n is an integer from 0 to 4; and R.sup.5 and R.sup.6 are independently selected from alkyl, alkoxy, alkanoyl, alkanoyl substituted by hydroxyl or alkoxycarbonyl and R.sup.5 and R.sup.6 may form a spiro carbocyclic ring which may be substituted with alkyl; and the invention also relates to novel compounds of formula I and to a method of screening a surface from ultraviolet radiation.

  该发明涉及含有有效成分的防晒霜组合物，至少包含公式I中的一种化合物： 其中R.sup.1从烷基、烯烃基、炔基取代的烷基、取代的烯烃基、苯基、取代的苯基、取代的苄基、环烷基、环烯烃基、取代的环烷基、取代的环烯烃基和聚合物基团中选择；R.sup.2从氢、烷基和烷氧基中选择；其中R.sup.1和R.sup.2可以形成可能被取代的碳环；R.sup.3从烷基、取代烷基、烯烃基、取代烯烃基、炔基、苯基、苯甲酰基、取代的苯基、取代的苄基、取代的苯甲酰基、环烷基、取代的环烷基、环烯烃基、取代的环烯烃基、烷酰基、取代的烷酰基、聚合物基团、OROROR.sup.9中的基团，其中R为二价碳氢基团，R.sup.9为烷基、烯烃基、苯基、苄基、取代的苯基、取代的苄基；R.sup.4为烷基或烷氧基；n为0到4的整数；R.sup.5和R.sup.6分别从烷基、烷氧基、烷酰基、被羟基或烷氧羰基取代的烷酰基中选择，R.sup.5和R.sup.6可以形成可能被烷基取代的螺环碳环；该发明还涉及公式I的新化合物以及一种用于筛选表面免受紫外辐射的方法。
• Sunscreen compounds
  申请人：ICI Australia Operations Proprietary Limited

  公开号：US05352793A1

  公开（公告）日：1994-10-04

  The invention relates to sunscreen compounds of formula I ##STR1## wherein R.sup.1 is selected from alkyl, alkenyl, alkynyl substituted alkyl, substituted alkenyl, phenyl, substituted phenyl, substituted benzyl, cycloalkyl, cycloalkenyl, substituted cycloalkyl, substituted cycloalkenyl; R.sup.2 is selected from hydrogen, alkyl and alkoxy; R.sup.3 is selected from alkyl, substituted alkyl, alkenyl, substituted alkenyl, alkynyl, phenyl, benzoyl, substituted phenyl, substituted benzyl, substituted benzoyl, cycloalkyl, substituted cycloalkyl, cycloalkenyl, substituted cycloalkenyl, alkanyoyl, substituted alkanoyl, the group OROROR.sup.9 wherein R is a bivalent hydrocarbon radical and R.sup.9 is alkyl, alkenyl, phenyl benzyl, substituted phenyl, substituted benzyl; R.sup.4 is alkyl or alkoxy; n is an integer from 0 to 4; and R.sup.5 and R.sup.6 are independently selected from alkyl, alkoxy, alkanoyl, alkanoyl substituted by hydroxyl or alkoxycarbonyl.

  本发明涉及以下式子的防晒剂化合物：式中R.sup.1从烷基，烯基，炔基取代的烷基，取代的烯基，苯基，取代的苯基，取代的苄基，环烷基，环烯基，取代的环烷基，取代的环烯基中选择；R.sup.2从氢，烷基和烷氧基中选择；R.sup.3从烷基，取代的烷基，烯基，取代的烯基，炔基，苯基，苯甲酰基，取代的苯基，取代的苄基，取代的苯甲酰基，环烷基，取代的环烷基，环烯基，取代的环烯基，烷酰基，取代的烷酰基，OROROR.sup.9基团中选择，其中R是双价碳氢基团，R.sup.9是烷基，烯基，苯基，苄基，取代的苯基，取代的苄基；R.sup.4是烷基或烷氧基；n是0到4的整数；R.sup.5和R.sup.6分别从烷基，烷氧基，烷酰基，被羟基或烷氧羰基取代的烷酰基中选择。
• Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives
  申请人：Huang He Kenneth

  公开号：US20080070918A1

  公开（公告）日：2008-03-20

  Disclosed are compounds and pharmaceutically acceptable salts of Formula I wherein A, Q 1 , Q 2 , Q 3 , R 3 , and R 4 are as defined herein. Compounds of Formula I are useful in the treatment of diseases and/or conditions related to cell proliferation, such as cancer, inflammation, arthritis, angiogenesis, or the like. Also disclosed are pharmaceutical compositions comprising compounds of the invention and methods of treating the aforementioned conditions using such compounds.

  本发明涉及公式I的化合物和药学上可接受的盐，其中A、Q1、Q2、Q3、R3和R4的定义如本文所述。公式I的化合物在治疗与细胞增殖有关的疾病和/或情况，如癌症、炎症、关节炎、血管生成等方面具有用途。本发明还涉及包含本发明化合物的制药组合物以及使用这些化合物治疗上述疾病和情况的方法。
• Practical total synthesis of RS-15385
  作者：John C. Rohloff、Norman H. Dyson、John O. Gardner、Thomas V. Alfredson、Mark L. Sparacino、James Robinson

  DOI：10.1021/jo00059a056

  日期：1993.3
• US5000946A
  申请人：——

  公开号：US5000946A

  公开（公告）日：1991-03-19