(5-{2-[bis(tert-butoxycarbonyl)amino]pyridin-3-yl}isoxazol-3-yl)methyl 4-methylbenzenesulfonate | 1166997-28-9

• 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: (5-{2-[bis(tert-butoxycarbonyl)amino]pyridin-3-yl}isoxazol-3-yl)methyl 4-methylbenzenesulfonate
• 英文别名: [5-[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridin-3-yl]-1,2-oxazol-3-yl]methyl 4-methylbenzenesulfonate
• CAS: 1166997-28-9
• 化学式: C₂₆H₃₁N₃O₈S
• 分子量: 545.613
• InChiKey: MBYUSASFUKTKMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  147
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  {4-[(pyridin-2-yloxy)methyl]phenyl}boronic acid 、 (5-{2-[bis(tert-butoxycarbonyl)amino]pyridin-3-yl}isoxazol-3-yl)methyl 4-methylbenzenesulfonate 在 palladium diacetate 、 三苯基膦 potassium phosphate 作用下， 以 甲苯 为溶剂， 反应 16.0h， 生成 di-tert-butyl (3-(3-(4-((pyridin-2-yloxy)methyl)benzyl)isoxazol-5-yl)pyridin-2-yl)imidodicarbonate 、 di-tert-butyl (3-(3-methylisoxazol-5-yl)pyridin-2-yl)imidodicarbonate
  参考文献：
  名称：

  EP2226320

  摘要：

  公开号：
• 作为产物：
  描述：

  di-tert-butyl {3-[3-(hydroxymethyl)isoxazol-5-yl]pyridin-2-yl}imidodicarbonate 、 对甲苯磺酰氯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 20.5h， 生成 (5-{2-[bis(tert-butoxycarbonyl)amino]pyridin-3-yl}isoxazol-3-yl)methyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  EP2226320

  摘要：

  公开号：

文献信息

• METHOD FOR MANUFACTURING HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVES
  申请人：Niijima Jun

  公开号：US20110263845A1

  公开（公告）日：2011-10-27

  It is an object of the present invention to provide an efficient method for manufacturing heterocycle-substituted pyridine derivatives. The present invention provides a method for manufacturing a compound represented by the following formula (I): the method including reacting a compound represented by the following formula (III): and a compound represented by the following formula (II): in a solvent and in the presence of a palladium catalyst and a base, wherein R 1 represents a hydrogen atom, etc.; R 2 represents a hydrogen atom, a C 1-6 alkyl group, an amino group that may be protected with a protective group, etc.; one of X and Y represents a nitrogen atom and the other represents a nitrogen atom or an oxygen atom; Q represents a leaving group; the ring A represents a 5- or 6-member heteroaryl ring or a benzene ring, which may have one or two halogen atoms or C 1-6 alkyl groups; Z represents a single bond, a methylene group, an ethylene group, an oxygen atom, etc.; R represents a hydrogen atom or a C 1-6 alkyl group, etc.; R 3 represents a hydrogen atom or a halogen atom, etc.; and R 4 represents a hydrogen atom or a halogen atom; provided that when Z represents a single bond, or when R 3 represents a hydrogen atom, then R 1 , R 2 , and R 4 cannot all be a hydrogen atom at the same time.

  本发明的目的是提供一种制造杂环取代吡啶衍生物的高效方法。本发明提供了一种制造以下式（I）化合物的方法：在溶剂和钯催化剂和碱存在下，将以下式（III）化合物和以下式（II）化合物反应，其中R1代表氢原子等；R2代表氢原子，C1-6烷基，可能被保护基保护的氨基等；X和Y中的一个代表氮原子，另一个代表氮原子或氧原子；Q代表离去基团；环A代表5-或6-成员杂芳基环或苯环，可以有一或两个卤素原子或C1-6烷基；Z代表单键，亚甲基基，乙烯基，氧原子等；R代表氢原子或C1-6烷基等；R3代表氢原子或卤素原子等；R4代表氢原子或卤素原子；但当Z代表单键或当R3代表氢原子时，R1、R2和R4不能同时为氢原子。
• Method for manufacturing heterocycle substituted pyridine derivatives
  申请人：Niijima Jun

  公开号：US08410277B2

  公开（公告）日：2013-04-02

  It is an object of the present invention to provide an efficient method for manufacturing heterocycle-substituted pyridine derivatives. The present invention provides a method for manufacturing a compound represented by the following formula (I): the method including reacting a compound represented by the following formula (III): and a compound represented by the following formula (II): in a solvent and in the presence of a palladium catalyst and a base, wherein R1 represents a hydrogen atom, etc.; R2 represents a hydrogen atom, a C1-6 alkyl group, an amino group that may be protected with a protective group, etc.; one of X and Y represents a nitrogen atom and the other represents a nitrogen atom or an oxygen atom; Q represents a leaving group; the ring A represents a 5- or 6-member heteroaryl ring or a benzene ring, which may have one or two halogen atoms or C1-6 alkyl groups; Z represents a single bond, a methylene group, an ethylene group, an oxygen atom, etc.; R represents a hydrogen atom or a C1-6 alkyl group, etc.; R3 represents a hydrogen atom or a halogen atom, etc.; and R4 represents a hydrogen atom or a halogen atom; provided that when Z represents a single bond, or when R3 represents a hydrogen atom, then R1, R2, and R4 cannot all be a hydrogen atom at the same time.

  本发明的目的是提供一种有效的制造杂环取代吡啶衍生物的方法。本发明提供了一种制造以下式(I)化合物的方法:在溶剂和钯催化剂和碱存在下，使以下式(III)化合物和以下式(II)化合物反应，其中R1代表氢原子等; R2代表氢原子、C1-6烷基、可能被保护基保护的氨基等; X和Y中的一个代表氮原子，另一个代表氮原子或氧原子; Q代表离去基团; 环A代表5-或6-成员杂环芳基环或苯环，可以有一或两个卤素原子或C1-6烷基; Z代表单键、亚甲基、乙烯基、氧原子等; R代表氢原子或C1-6烷基等; R3代表氢原子或卤素原子等; R4代表氢原子或卤素原子; 前提是当Z代表单键或当R3代表氢原子时，R1、R2和R4不能同时都是氢原子。
• PROCESS FOR PRODUCTION OF HETEROCYCLE-SUBSTITUTED PYRIDINE DERIVATIVE
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP2226320A1

  公开（公告）日：2010-09-08

  It is an object of the present invention to provide an efficient method for manufacturing heterocycle-substituted pyridine derivatives. The present invention provides a method for manufacturing a compound represented by the following formula (I): the method including reacting a compound represented by the following formula (III): and a compound represented by the following formula (II): in a solvent and in the presence of a palladium catalyst and a base, wherein R1 represents a hydrogen atom, etc.; R2 represents a hydrogen atom, a C1-6 alkyl group, an amino group that may be protected with a protective group, etc.; one of X and Y represents a nitrogen atom and the other represents a nitrogen atom or an oxygen atom; Q represents a leaving group; the ring A represents a 5- or 6-member heteroaryl ring or a benzene ring, which may have one or two halogen atoms or C1-6 alkyl groups; Z represents a single bond, a methylene group, an ethylene group, an oxygen atom, etc.; R represents a hydrogen atom or a C1-6 alkyl group, etc.; R3 represents a hydrogen atom or a halogen atom, etc.; and R4 represents a hydrogen atom or a halogen atom; provided that when Z represents a single bond, or when R3 represents a hydrogen atom, then R1, R2, and R4 cannot all be a hydrogen atom at the same time.

  本发明的目的是提供一种制造杂环取代的吡啶衍生物的有效方法。本发明提供了一种制造下式（I）所代表的化合物的方法： 该方法包括使下式(III)代表的化合物反应： 和下式（II）代表的化合物进行反应： 在溶剂中并在钯催化剂和碱存在下进行反应、 其中 R1 代表氢原子等；R2 代表氢原子、C1-6 烷基、可被保护基保护的氨基等；X 和 Y 中的一个代表氮原子，另一个代表氮原子或氧原子；Q 代表离去基团；环 A 代表 5 或 6 元杂芳基环或苯环，其中可有一个或两个卤素原子或 C1-6 烷基；Z 代表单键、亚甲基、亚乙基、氧原子等。R代表氢原子或C1-6烷基等；R3代表氢原子或卤素原子等；R4代表氢原子或卤素原子； 但当 Z 代表单键或 R3 代表氢原子时，R1、R2 和 R4 不能同时都是氢原子。
• US8410277B2
  申请人：——

  公开号：US8410277B2

  公开（公告）日：2013-04-02
• EP2226320
  申请人：——

  公开号：——

  公开（公告）日：——