12-ethyl-7-(1-hydroxy-2-methylpropyl)-8-methyl-2-trifluoromethyl-11H-indolizino[1,2-b]quinolin-9-one | 596804-36-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 12-ethyl-7-(1-hydroxy-2-methylpropyl)-8-methyl-2-trifluoromethyl-11H-indolizino[1,2-b]quinolin-9-one
• 英文别名: 12-ethyl-7-(1-hydroxy-2-methylpropyl)-8-methyl-2-(trifluoromethyl)-11H-indolizino[1,2-b]quinolin-9-one
• CAS: 596804-36-3
• 化学式: C₂₃H₂₃F₃N₂O₂
• 分子量: 416.443
• InChiKey: FDAVYLLTVPJJDC-UHFFFAOYSA-N

物化性质

• 沸点：
  622.3±55.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  53.4
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Mappicine analogs, intermediates in the synthesis of mappicine analogs and methods of synthesis of mappicine analogs
  申请人：——

  公开号：US20040077674A1

  公开（公告）日：2004-04-22

  A compound having the following structure: 1 wherein Z is —CHOR 1 R 2 or —C(O)R 2 ; R 1 is H, an alkyl group, an aryl group, —OC(O)OR a , wherein R a is an alkyl group, —C(O)R b wherein R b is an alkyl group, an aryl group, an alkoxy group, an amino group, an alkylamino group, a dialkylamino group, an aryl amino group, a diarylamino group, an arylalkyl amino group, a protecting group or a fluorous tag; R 2 is an alkyl group, an aryl group or an arylalkyl group; R 3 is H, an alkyl group, hydroxyalkyl group or an aryl group; R 4 —R 8 are independently the same or different and are hydrogen, an alkyl group, an alkenyl group, an alkynyl group, an aryl group, an alkoxy group, an aryloxy group, an acyloxy group, a haloalkyl group, a perfluoroalkyl group, fluorine, chlorine, bromine, a haloalkyloxy group, a carbamoyloxy group, a hydroxy group, a nitro group, a cyano group, a cyanoalkyl group, an azido group, an azidoalkyl group, a formyl group, a hydrazino group, a hydrazinoalkyl group, a hydroxyalkyl group, an alkoxyalkyl group, —NR 1 R m , wherein R 1 and R m are independently hydrogen, an alkyl group, an aryl group, an arylalkyl group, or —C(O)R b , an aminoalkyl group, an alkylaminoalkyl group, a dialkylaminoalkyl group, an aryl aminoalkyl group, a diarylaminoalkyl group, an arylalkyl aminoalkyl group, —OC(O)OR a , wherein R a is an alkyl group, —C(O)R b , —SR c , S(O)R c or S(O 2 )R c wherein R c is hydrogen, —C(O)R b , an alkyl group, or an aryl group, (CH 2 ) n SiR d R e R f wherein n is an integer within the range of 0 through 10 and R d , R e and R f are independently a C 1-10 alkyl group, a C 2-10 alkenyl group, a C 2-10 alkynyl group, an aryl group, a haloalkyl group, a cyanoalkyl group, an azidoalkyl group, a hydrazinoalkyl group, a hydroxyalkyl group, an alkoxyalkyl group, an aminoalkyl group, an alkylaminoalkyl group, a dialkylaminoalkyl group, an aryl aminoalkyl group, a diarylaminoalkyl group, an arylalkyl aminoalkyl group. Alternatively R 4 and R 5 , R 5 and R 6 ; R 6 and R 7 ; or R 7 and R 8 can form together a chain of 3 or four groups selected from CH, CH 2 , O, S, N, NH, N-alkyl or N-aryl. Provided that, at least one of R 5 —R 7 is not H, a lower alkyl group, fluorine, a cyano group, a hydroxyl group, hydroxyalkyl group, an alkoxy group, an aminoalkyl group, an alkylaminoalkyl group, a dialkylaminoalkyl group, an amino group, an alkylamino group, a dialkylamino group, a carbamoyloxy group, a formyl group or —C(O)R x wherein R x is an alkyl group.

  一种具有以下结构的化合物：1其中Z为—CHOR1R2或—C（O）R2; R1为H、烷基、芳基、—OC（O）ORa，其中R为烷基、—C（O）Rb，其中Rb为烷基、芳基、烷氧基、氨基、烷基氨基、双烷基氨基、芳基氨基、双芳基氨基、芳基烷基氨基、保护基或氟标记基; R2为烷基、芳基或芳基烷基; R3为H、烷基、羟基烷基或芳基; R4-R8独立且相同或不同，为氢、烷基、烯基、炔基、芳基、烷氧基、芳氧基、乙酰氧基、卤代烷基、全氟烷基、氟、氯、溴、卤代烷氧基、氨基甲酰氧基、羟基、硝基、氰基、氰基烷基、叠氮基、叠氮基烷基、甲酰基、肼基、肼基烷基、羟基烷基、烷氧基烷基、—NR1Rm，其中R1和Rm独立且相同或不同，为氢、烷基、芳基、芳基烷基或—C（O）Rb、氨基烷基、烷基氨基烷基、双烷基氨基烷基、芳基氨基烷基、双芳基氨基烷基、芳基烷基氨基烷基、—OC（O）ORa，其中R为烷基、—C（O）Rb、—SRc、S（O）Rc或S（O2）Rc，其中Rc为氢、—C（O）Rb、烷基或芳基，（CH2）nSiRdReRf，其中n为0到10的整数，Rd、Re和Rf独立且相同或不同，为C1-10烷基、C2-10烯基、C2-10炔基、芳基、卤代烷基、氰基烷基、叠氮基烷基、肼基烷基、羟基烷基、烷氧基烷基、氨基烷基、烷基氨基烷基、双烷基氨基烷基、芳基氨基烷基、双芳基氨基烷基、芳基烷基氨基烷基。或者R4和R5、R5和R6、R6和R7或R7和R8可以形成由CH、 、O、S、N、NH、N-烷基或N-芳基选择的3或4个组成的链。但至少R5-R7中的一个不是H、低碳烷基、氟、氰基、羟基、羟基烷基、烷氧基、氨基烷基、烷基氨基烷基、双烷基氨基烷基、氨基、烷基氨基、双烷基氨基、氨基甲酰氧基、甲酰基或—C（O）Rx，其中Rx为烷基。