2-(10,10-Dimethyl-3,3-dioxo-3λ⁶-thia-4-aza-tricyclo[5.2.1.0^1,5]decane-4-carbonyl)-benzoic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-(10,10-Dimethyl-3,3-dioxo-3λ⁶-thia-4-aza-tricyclo[5.2.1.0^1,5]decane-4-carbonyl)-benzoic acid
• 英文别名: 2-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3$l^{6-thia-4-azatricyclo[5.2.1.0^{1,5]decane-4-carbonyl]benzoic acid；2-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl)benzoic acid
• 化学式: C₁₈H₂₁NO₅S
• 分子量: 363.434
• InChiKey: UJCSAJNSMWSFHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(10,10-Dimethyl-3,3-dioxo-3λ⁶-thia-4-aza-tricyclo[5.2.1.0^1,5]decane-4-carbonyl)-benzoic acid 、 (+/-)-3,3'-dihydroxy-2,2'-dimethoxy-9,9'-bitriptycyl 在 N,N'-二环己基碳二亚胺 作用下， 生成 sc-2,2'-dimethoxy-3,3'-bis<2-<(1S,5R,7R)-3,3-dioxo-3-thia-4-azatricyclo<5.2.1.0^1,5>decan-4-ylcarbonyl>benzoyloxy>-9,9'-bitriptycyl
  参考文献：
  名称：

  Syntheses of ap- and ±sc-2,2′,3,3′-tetramethoxy-9,9′-bitriptycyl rotamers and optical resolution of the ±sc-form

  摘要：

  Rotational isomers of 2,2',3,3'-tetramethoxy-9,9'-bitriptycyl, of which ap form is of C-2h symmetry whereas the sc forms Ct, have been isolated. The optically active forms exhibit the following specific rotations at Na D line for chloroform solutions (concentration ca. 1%) at 25 degrees C: Dextrorotatory form +7.8 degrees, levorotatory form -7.6 degrees.

  DOI：

  10.1016/0040-4039(95)01264-i

文献信息

• [EN] ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF ENANTIOMERS OF SEX PHEROMONES<br/>[FR] PROCÉDÉ ÉNANTIOSÉLECTIF POUR LA PRÉPARATION D'ÉNANTIOMÈRES DE PHÉROMONES SEXUELLES
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2014115172A1

  公开（公告）日：2014-07-31

  The invention disclosed herein relates to an enantioselective process for preparation of biologically active (R) and (S) enantiomers of sex pheromones of the long-tailed Mealybug with high enantiopurity having significant biological activity. Further, the invention provides absolute configuration of synthesized R and S enantiomers.(I)

  本发明涉及一种对长尾粉蚧的性信息素的(R)和(S)对映体进行高对映纯度的选择性合成过程，这些性信息素具有显著的生物活性。此外，该发明提供了合成的R和S对映体的绝对构型。(I)
• ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF ENANTIOMERS OF SEX PHEROMONES
  申请人：COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH

  公开号：US20150361025A1

  公开（公告）日：2015-12-17

  The invention disclosed herein relates to an enantioselective process for preparation of biologically active (R) and (S) enantiomers of sex pheromones of the long-tailed Mealybug with high enantiopurity having significant biological activity. Further, the invention provides absolute configuration of synthesized R and S enantiomers.(I)

  本发明涉及一种手性选择性制备长尾粉介壳虫生物活性(R)和(S)对映体性别信息素的过程，具有高对映纯度和显著的生物活性。此外，本发明提供了合成的R和S对映体的绝对构型。(I)
• US9598346B2
  申请人：——

  公开号：US9598346B2

  公开（公告）日：2017-03-21
• Syntheses of ap- and ±sc-2,2′,3,3′-tetramethoxy-9,9′-bitriptycyl rotamers and optical resolution of the ±sc-form
  作者：Shinji Toyota、Akihiro Yasutomi、Michinori Ōki

  DOI：10.1016/0040-4039(95)01264-i

  日期：1995.8

  Rotational isomers of 2,2',3,3'-tetramethoxy-9,9'-bitriptycyl, of which ap form is of C-2h symmetry whereas the sc forms Ct, have been isolated. The optically active forms exhibit the following specific rotations at Na D line for chloroform solutions (concentration ca. 1%) at 25 degrees C: Dextrorotatory form +7.8 degrees, levorotatory form -7.6 degrees.