2-(2-formyl-4,5-(methylenedioxy)phenyl)ethyl tert-butyldimethylsilyl ether | 158839-97-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 2-(2-formyl-4,5-(methylenedioxy)phenyl)ethyl tert-butyldimethylsilyl ether
• 英文别名: 4,5-(methylenedioxy)-2-(2-{[(1,1-dimethylethyl)dimethylsilyl]oxy}ethyl)benzaldehyde；6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-benzodioxole-5-carbaldehyde
• CAS: 158839-97-5
• 化学式: C₁₆H₂₄O₄Si
• 分子量: 308.45
• InChiKey: HKKYKYWJZGCOHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.79
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2-formyl-4,5-(methylenedioxy)phenyl)ethyl tert-butyldimethylsilyl ether 在 palladium on activated charcoal 盐酸 、 TEA 、 三氟化硼乙醚 、 氢气 、 sodium acetate 、 sodium cyanoborohydride 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 异丙醇 、 丙酮 、 乙腈 为溶剂， 生成 tert-butyl 1-oxo-2,3,5,6,8,9-hexahydro-1H-[1,3]dioxolo[4′,5':4,5]benzo[1,2-d]cyclopenta[f]azecine-7(4H)-carboxylate
  参考文献：
  名称：

  A Cephalotaxine Synthesis Founded on a Mechanistically Interesting, Quasi-biomimetic Strategy

  摘要：

  DOI：

  10.1021/ja00100a071
• 作为产物：
  描述：

  2-(6-iodobenzo[d][1,3]dioxol-5-yl)ethanol 在 正丁基锂 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 2-(2-formyl-4,5-(methylenedioxy)phenyl)ethyl tert-butyldimethylsilyl ether
  参考文献：
  名称：

  头孢菌素合成的两种相互关联的策略。

  摘要：

  对两种相互关联的头孢类生物碱家族成员合成策略的研究最终以简洁的方法制备了亲本头孢他辛（1）。作为探索使用SET促进的芳基取代的甲硅烷基烯丙二胺盐的光环化反应以生成靶标的螺环DE单元的一部分，我们注意到，通过烯醇酯20的脱酰作用生成五环氨基酮23的尝试导致了产生23和大环氨基烯酮24的混合物。显示23和24之间存在快速平衡，有利于后者的开环形式。这与desmethylcephalotaxinone（22）的行为相反，desmethylcephalotaxinone（22）是几种早期头孢他辛合成中的关键晚期中间体，已知以闭环形式存在。

  DOI：

  10.1021/jo961179s

文献信息

• Thieno-pyridine sulfonamides derivatives thereof and related compounds
  申请人：Texas Biotechnology Corporation

  公开号：US05804585A1

  公开（公告）日：1998-09-08

  Methods, compositions, and compounds for modulating the activity of an endothelin peptide are provided. The methods use compositions that contain compounds that include those of the formula: ##STR1## where X is selected from groups that include O, S, and NH; Y is selected from O.sup.+ and N, and R.sup.1 and R.sup.2 are each selected independently from among alkyl, lower alkenyl, lower alkynyl, lower haloalkyl, halide, pseudohalide or H, except that R.sup.2 is not halide. R.sup.3, R.sup.4 and R.sup.5 are selected from among groups that include hydrogen, halide, alkoxy, alkyl, haloalkyl; and R.sup.7 is selected from groups that include (CH.sub.2).sub.r R.sup.18, in which r is 0 to 6 and R.sup.18 is selected from groups that include aryl, particularly pyrmidinyl and phenyl. The methods are effected by contacting endothelin receptors with one or more of the compounds or with compositions containing one or more of the compounds prior to, simultaneously with, or subsequent to contacting the receptors with an endothelin peptide.

  提供了调节内皮素肽活性的方法、组合物和化合物。这些方法使用含有以下式的化合物的组合物：##STR1## 其中X从包括O、S和NH的基团中选择；Y从O.sup.+和N中选择，R.sup.1和R.sup.2各自独立地从烷基、低烯烃基、低炔烃基、低卤代烷基、卤代基、伪卤代基或H中选择，但R.sup.2不是卤代基。R.sup.3、R.sup.4和R.sup.5从包括氢、卤代基、烷氧基、烷基、卤代烷基的基团中选择；R.sup.7从包括(CH.sub.2).sub.r R.sup.18的基团中选择，其中r为0到6，R.sup.18从包括芳基、特别是吡啶基和苯基的基团中选择。这些方法通过在接触内皮素受体之前、同时或之后与一种或多种化合物或含有一种或多种化合物的组合物接触来实现。
• THIENO-PYRIDINE SULFONAMIDES DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN
  申请人：——

  公开号：US20010014684A1

  公开（公告）日：2001-08-16

  Methods, compositions, and compounds for modulating the activity of an endothelin peptide are provided. The methods use compositions that contain compounds that include those of the formula: 1 where X is selected from groups that include O, S, and NH; Y is selected from O + and N, and R 1 and R 2 are each selected independently from among alkyl, lower alkenyl, lower alkynyl, lower haloalkyl, halide, pseudohalide or H, except that R 2 is not halide. R 3 , R 4 and R 5 are selected from among groups that include hydrogen, halide, alkoxy, alkyl, haloalkyl; and R 7 is selected from groups that include (CH 2 ) r R 18 , in which r is 0 to 6 and R 18 is selected from groups that include aryl, particularly pyrimidinyl and phenyl. The methods are effected by contacting endothelin receptors with one or more of the compounds or with compositions containing one or more of the compounds prior to, simultaneously with, or subsequent to contacting the receptors with an endothelin peptide.

  本发明提供了用于调节内皮素肽活性的方法、组合物和化合物。该方法使用包含下列公式1中化合物的组合物：其中X选自包括O、S和NH的基团；Y选自O+和N，R1和R2各自独立地选自烷基、较低烯基、较低炔基、较低卤代烷基、卤素、伪卤素或H，但R2不是卤素。R3、R4和R5选自包括氢、卤素、烷氧基、烷基、卤代烷基的基团；R7选自包括(CH2)rR18的基团，其中r为0到6，R18选自包括芳基，特别是嘧啶基和苯基的基团。该方法通过在与内皮素肽接触之前、同时或之后将内皮素受体与一个或多个化合物或包含一个或多个化合物的组合物接触来实现。
• Thieno-pyridine sulfonamides derivatives thereof and related compounds that modulate the activity of endothelin
  申请人：——

  公开号：US20020028829A1

  公开（公告）日：2002-03-07

  Methods, compositions, and compounds for modulating the activity of an endothelin peptide are provided. The methods use compositions that contain compounds that include those of the formula: 1 where X is selected from groups that include O, S, and NH; Y is selected from O + and N, and R 1 and R 2 are each selected independently from among alkyl, lower alkenyl, lower alkynyl, lower haloalkyl, halide, pseudohalide or H, except that R 2 is not halide. R 3 , R 4 and R 5 are selected from among groups that include hydrogen, halide, alkoxy, alkyl, haloalkyl; and R 7 is selected from groups that include (CH 2 ),R 18 , in which r is 0 to 6 and R 18 is selected from groups that include aryl, particularly pyrmidinyl and phenyl. The methods are effected by contacting endothelin receptors with one or more of the compounds or with compositions containing one or more of the compounds prior to, simultaneously with, or subsequent to contacting the receptors with an endothelin peptide.

  提供用于调节内皮素肽活性的方法、组合物和化合物。这些方法使用含有化合物的组合物，所述化合物包括下式中的化合物：1，其中X从包括O、S和NH的基团中选择；Y从O+和N中选择，R1和R2各自独立地从烷基、较低的烯基、较低的炔基、较低的卤代烷基、卤素、伪卤素或H中选择，但R2不是卤素。R3、R4和R5从包括氢、卤素、烷氧基、烷基、卤代烷基的基团中选择；R7从包括(CH2)、R18的基团中选择，其中r为0到6，R18从包括芳基，特别是吡啶基和苯基的基团中选择。这些方法通过在接触内皮素受体之前、同时或之后使用含有一种或多种化合物的组合物与内皮素肽受体接触来实现。
• Use of thieno-pyridine sulfonamides derivatives thereof and related compounds that modulate the activity of endothelin
  申请人：Texas Biotechnology Corporation.

  公开号：US06329387B2

  公开（公告）日：2001-12-11

  Methods, compositions, and compounds for modulating the activity of an endothelin peptide are provided. The methods use compositions that contain compounds that include those of the formula: where X is selected from groups that include O, S, and NH; Y is selected from O+ and N, and R1 and R2 are each selected independently from among alkyl, lower alkenyl, lower alkynyl, lower haloalkyl, halide, pseudohalide or H, except that R2 is not halide. R3, R4 and R5 are selected from among groups that include hydrogen, halide, alkoxy, alkyl, haloalkyl; and R7 is selected from groups that include (CH2)rR18, in which r is 0 to 6 and R18 is selected from groups that include aryl, particularly pyrimidinyl and phenyl. The methods are effected by contacting endothelin receptors with one or more of the compounds or with compositions containing one or more of the compounds prior to, simultaneously with, or subsequent to contacting the receptors with an endothelin peptide.

  本发明提供了用于调节内皮素肽活性的方法、组合物和化合物。该方法使用含有以下化合物的组合物：其中X从包括O、S和NH的群体中选择；Y从O+和N中选择，R1和R2各自独立地从烷基、低烯丙基、低炔基、低卤代烷基、卤素、伪卤素或H中选择，但R2不是卤素。R3、R4和R5从氢、卤素、烷氧基、烷基、卤代烷基等群体中选择；R7从(CH2)rR18的群体中选择，其中r为0到6，R18从芳基中选择，特别是嘧啶基和苯基。该方法通过在将内皮素受体与一种或多种化合物或含有一种或多种化合物的组合物接触之前、同时或之后接触内皮素肽来实现。
• Method of treating glaucoma
  申请人：Texas Biotechnology Corporation

  公开号：US06545014B2

  公开（公告）日：2003-04-08

  Methods, compositions, and compounds for modulating the activity of an endothelin peptide are provided. The methods use compositions that contain compounds that include those of the formula: where X is selected from groups that include O, S, and NH; Y is selected from O+ and N, and R1 and R2 are each selected independently from among alkyl, lower alkenyl, lower alkynyl, lower haloalkyl, halide, pseudohalide or H, except that R2 is not halide. R3, R4 and R5 are selected from among groups that include hydrogen, halide, alkoxy, alkyl, haloalkyl; and R7 is selected from groups that include (CH2)rR18, in which r is 0 to 6 and R18 is selected from groups that include aryl, particularly pyrmidinyl and phenyl. The methods are effected by contacting endothelin receptors with one or more of the compounds or with compositions containing one or more of the compounds prior to, simultaneously with, or subsequent to contacting the receptors with an endothelin peptide.

  提供了用于调节内皮素肽活性的方法、组合物和化合物。该方法使用含有化合物的组合物，其中化合物的公式如下：其中X从包括O、S和NH的基团中选择；Y从O+和N中选择；R1和R2各自独立地从烷基、低烯基、低炔基、低卤代烷基、卤素、伪卤素或H中选择，但R2不是卤素。R3、R4和R5从包括氢、卤素、烷氧基、烷基、卤代烷基的基团中选择；R7从包括(CH2)rR18的基团中选择，其中r为0到6，R18从包括芳基、特别是吡啶基和苯基的基团中选择。该方法通过在与内皮素肽接触之前、同时或之后将内皮素受体与一个或多个化合物或含有一个或多个化合物的组合物接触来实现。