(3-ethynyl-quinolin-6-yloxy)-methylsulfanyl-acetic acid 3-(tert-butyl-diphenyl-silanyloxy)-2-[2-(3-ethynyl-quinolin-6-yloxy)-2-methylsulfanyl-acetylamino]-2-methyl-propyl ester | 1128039-53-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (3-ethynyl-quinolin-6-yloxy)-methylsulfanyl-acetic acid 3-(tert-butyl-diphenyl-silanyloxy)-2-[2-(3-ethynyl-quinolin-6-yloxy)-2-methylsulfanyl-acetylamino]-2-methyl-propyl ester
• 英文别名: [3-[Tert-butyl(diphenyl)silyl]oxy-2-[[2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanylacetyl]amino]-2-methylpropyl] 2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanylacetate；[3-[tert-butyl(diphenyl)silyl]oxy-2-[[2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanylacetyl]amino]-2-methylpropyl] 2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanylacetate
• CAS: 1128039-53-1
• 化学式: C₄₈H₄₇N₃O₆S₂Si
• 分子量: 854.135
• InChiKey: GGZTVXFOJJWEQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.58
• 重原子数：
  60
• 可旋转键数：
  20
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  160
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  (3-ethynyl-quinolin-6-yloxy)-methylsulfanyl-acetic acid 3-(tert-butyl-diphenyl-silanyloxy)-2-[2-(3-ethynyl-quinolin-6-yloxy)-2-methylsulfanyl-acetylamino]-2-methyl-propyl ester 在 lithium hydroxide 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 1.33h， 生成 rac-(R,R)-N-[1-(tert-butyl-diphenyl-silanyloxymethyl)-2-hydroxy-1-methyl-ethyl]-2-(3-ethynyl-quinolin-6-yloxy)-2-methylsulfanyl-acetamide 、 rac-(R,S)-N-[1-(tert-butyl-diphenyl-silanyloxymethyl)-2-hydroxy-1-methyl-ethyl]-2-(3-ethynyl-quinolin-6-yloxy)-2-methylsulfanyl-acetamide
  参考文献：
  名称：

  [EN] SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES
  [FR] NOUVEAUX FONGICIDES

  摘要：

  公开号：

  WO2009030467A8
• 作为产物：
  描述：

  2-[(3-ethynyl-6-quinolyl)oxy]-2-methylsulfanyl-acetic acid 、 2-氨基-3-((叔丁基二苯基硅烷基)氧基)-2-甲基丙-1-醇 在 N-羟基-7-氮杂苯并三氮唑 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 16.0h， 生成 rac-(R,R)-N-[1-(tert-butyl-diphenyl-silanyloxymethyl)-2-hydroxy-1-methyl-ethyl]-2-(3-ethynyl-quinolin-6-yloxy)-2-methylsulfanyl-acetamide 、 rac-(R,S)-N-[1-(tert-butyl-diphenyl-silanyloxymethyl)-2-hydroxy-1-methyl-ethyl]-2-(3-ethynyl-quinolin-6-yloxy)-2-methylsulfanyl-acetamide 、 (3-ethynyl-quinolin-6-yloxy)-methylsulfanyl-acetic acid 3-(tert-butyl-diphenyl-silanyloxy)-2-[2-(3-ethynyl-quinolin-6-yloxy)-2-methylsulfanyl-acetylamino]-2-methyl-propyl ester
  参考文献：
  名称：

  [EN] SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES
  [FR] NOUVEAUX FONGICIDES

  摘要：

  公开号：

  WO2009030467A8

文献信息

• [EN] SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES<br/>[FR] NOUVEAUX FONGICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2009030467A8

  公开（公告）日：2010-04-15