6-(chloromethyl)-2-(tetrahydro-2H-pyran-2-yl)-1,2-benzisoxazol-3(2H)-one | 947408-98-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并异恶唑
• 英文名称: 6-(chloromethyl)-2-(tetrahydro-2H-pyran-2-yl)-1,2-benzisoxazol-3(2H)-one
• 英文别名: 6-(chloromethyl)-2-(oxan-2-yl)-1,2-benzoxazol-3-one
• CAS: 947408-98-2
• 化学式: C₁₃H₁₄ClNO₃
• 分子量: 267.712
• InChiKey: XFNKBPJTWNBMAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3,4-二氢-2H-吡喃 、 6-(chloromethyl)-1,2-benzisoxazol-3-ol 在 4-甲基苯磺酸吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 6-(chloromethyl)-2-(tetrahydro-2H-pyran-2-yl)-1,2-benzisoxazol-3(2H)-one
  参考文献：
  名称：

  PROCESS FOR PRODUCTION OF 3-[5-[4-(CYCLOPENTYLOXY)-2-HYDROXYBENZOYL]-2-[(3-HYDROXY-1,2-BENZISOXAZOL-6-YL)METHOXY]PHENYL]PROPIONATE ESTER AND INTERMEDIATE FOR THE PROCESS

  摘要：

  公开号：

  EP1988085B8

文献信息

• PROCESS FOR PRODUCTION OF 3-[5-[4-(CYCLOPENTYLOXY)-2-HYDROXYBENZOYL]-2-[(3-OXO-2-SUBSTITUTED-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)METHOXY]PHENYL]PROPIONATE ESTER AND INTERMEDIATE FOR THE PROCESS
  申请人：Yonezawa Kenji

  公开号：US20090099369A1

  公开（公告）日：2009-04-16

  A preparation method using as an intermediate 6-(halomethyl)-1,2-benzisoxazol-3(2H)-one derivative represented by general formula wherein R 5 is a methyl group that is substituted with one or more optionally substituted phenyl groups, or an optionally substituted oxygen-containing heterocyclic group; X represents a halogen atom, can be used as a method for safely and easily preparing 3-5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-hydroxy-1,2-benzisoxazol-6-yl)methoxy]phenyl}propionic acid, which is useful as an antirheumatic agent, with a high yield.

  使用一种中间体6-(卤代甲基)-1,2-苯并异噁唑-3(2H)-酮衍生物的制备方法，该衍生物由通式表示，其中R5是一个甲基基团，该基团被一个或多个可选的取代苯基团或一个可选的含氧杂环基团所取代；X代表卤素原子。该方法可用于安全、易于制备3-5-[4-(环戊氧基)-2-羟基苯甲酰基]-2-[(3-羟基-1,2-苯并异噁唑-6-基)甲氧基]苯基}丙酸的高产率制备，该化合物可用作抗风湿药物。
• Process for production of 3-[5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-OXO-2-substituted-2,3-dihydro-1,2-benzisoxazol-6-yl)methoxy]phenyl]propionate ester and intermediate for the process
  申请人：Toyama Chemical Co., Ltd.

  公开号：US08153816B2

  公开（公告）日：2012-04-10

  A 6-(halomethyl)-1,2-benzisoxazol-3(2H)-one derivative represented by the formula: wherein R5 is a methyl group that is substituted with one or more optionally substituted phenyl groups, or an optionally substituted oxygen-containing heterocyclic group; and X is a halogen atom.

  一种由以下公式表示的6-(卤代甲基)-1,2-苯并异噁唑-3(2H)-酮衍生物： 其中，R5是一种甲基基团，其上取代有一个或多个可选取代的苯基团或可选取代的含氧杂环基团；X是卤素原子。
• Process for production of 3-[5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-OXO-2-substituted-2,3-dihydro-1,2-benzisoxazol-6-yl]methoxy]phenyl]proprionate ester and intermediate for the process
  申请人：Toyama Chemical Co., Ltd.

  公开号：US08017789B2

  公开（公告）日：2011-09-13

  A preparation method using as an intermediate 6-(halomethyl)-1,2-benzisoxazol-3(2H)-one derivative represented by general formula wherein R5 is a methyl group that is substituted with one or more optionally substituted phenyl groups, or an optionally substituted oxygen-containing heterocyclic group; X represents a halogen atom, can be used as a method for safely and easily preparing 3-5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-hydroxy-1,2-benzisoxazol-6-yl)methoxy]phenyl}propionic acid, which is useful as an antirheumatic agent, with a high yield.

  一种制备方法，使用6-（卤代甲基）-1，2-苯并异噁唑-3（2H）-酮衍生物作为中间体，其通式表示为其中R5是甲基基团，该基团被一个或多个可选择取代的苯基团或一个可选择取代的含氧杂环基团所取代; X代表卤素原子，可用作一种安全易行的方法，以高产率制备3-5-[4-(环戊氧基)-2-羟基苯甲酰基]-2-[(3-羟基-1,2-苯并异噁唑-6-基)甲氧基]苯基}丙酸，该化合物可用作抗风湿药物。
• Process for production of 3-[5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-oxo-2-substituted-2,3-dihydro-1,2-benzisoxazol-6-yl)methoxy]phenyl]propionate ester and intermediate for the process
  申请人：TOYAMA CHEMICAL CO., LTD.

  公开号：EP2562170A1

  公开（公告）日：2013-02-27

  A preparation method using as an intermediate 6-(halomethyl)-1,2-benzisoxazol-3(2H)-one derivative represented by general formula wherein R5 is a methyl group that is substituted with one or more optionally substituted phenyl groups, or an optionally substituted oxygen-containing heterocyclic group; X represents a halogen atom, can be used as a method for safely and easily preparing 3-5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-hydroxy-1,2-benzisoxazol-6-yl)methoxy]phenyl}propionic acid, which is useful as an antirheumatic agent, with a high yield.

  一种以通式表示的 6-(卤代甲基)-1,2-苯并异噁唑-3(2H)-酮衍生物为中间体的制备方法 其中 R5 是被一个或多个任选取代的苯基或任选取代的含氧杂环基团取代的甲基；X 代表卤素原子，该方法可用于安全、简便地制备 3-5-[4-(环戊基氧基)-2-羟基苯甲酰基]-2-[(3-羟基-1,2-苯并异噁唑-6-基)甲氧基]苯基}丙酸，可用作抗风湿剂，且收率高。
• PROCESS FOR PRODUCTION OF 3-[5-[4-(CYCLOPENTYLOXY)-2-HYDROXYBENZOYL]-2-[(3-HYDROXY-1,2-BEZISOXAZOL-6-YL)METHOXY]PHENYL]PROPIONATE ESTER AND INTERMEDIATE FOR THE PROCESS
  申请人：TOYAMA CHEMICAL CO., LTD.

  公开号：EP1988085B1

  公开（公告）日：2014-11-12