6-(bromomethyl)-3-(methoxymethoxy)-1,2-benzisoxazole | 530144-62-8

• 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-(bromomethyl)-3-(methoxymethoxy)-1,2-benzisoxazole
• 英文别名: 6-(bromomethyl)-3-(methoxymethoxy)-1,2-benzoxazole
• CAS: 530144-62-8
• 化学式: C₁₀H₁₀BrNO₃
• 分子量: 272.098
• InChiKey: QNOYARGGKZBKAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  44.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 3-[2-hydroxy-5-(2-hydroxy-4-cyclopentyloxybenzoyl)phenyl]propionate 、 6-(bromomethyl)-3-(methoxymethoxy)-1,2-benzisoxazole 在 potassium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 1.0h， 生成 methyl 3-(5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-{[3-(methoxymethoxy)-1,2-benzisoxazol-6-yl]methoxy}phenyl)propanoate
  参考文献：
  名称：

  NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF

  摘要：

  公开号：

  EP1445249B1
• 作为产物：
  描述：

  methoxymethyl 6-methyl-1,2-benzisoxazol-3-yl ether 在 偶氮二异丁腈 N-溴代丁二酰亚胺(NBS) 作用下， 以 苯 为溶剂， 反应 0.5h， 生成 6-(bromomethyl)-3-(methoxymethoxy)-1,2-benzisoxazole
  参考文献：
  名称：

  NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF

  摘要：

  公开号：

  EP1445249B1

文献信息

• Novel benzophenone derivatives or salts thereof
  申请人：Chaki Hisaaki

  公开号：US20050113400A1

  公开（公告）日：2005-05-26

  A benzophenone derivative represented by the following formula: wherein R 1 represents, for example, an optionally substituted heterocyclic group, or a substituted phenyl group; Z represents, for example, an alkylene group; R 2 represents, for example, a carboxyl group optionally protected with alkyl; R 3 represents, for example, an optionally protected hydroxyl group; R 4 represents, for example, an optionally substituted cycloalkyloxy group; and R 5 represents, for example, a hydrogen atom, or a salt thereof has anti-arthritic activity, inhibits bone destruction caused by arthritis, and provides high safety and excellent pharmacokinetics and thus is useful as therapeutic agent for arthritis. These compounds have inhibitory effect on AP-1 activity and are useful as preventive or therapeutic agent for diseases in which excessive expression of AP-1 is involved.

  以下是一种苯甲酮衍生物的化学式： 其中，R1代表例如可选取代的杂环基团或取代的苯基团；Z代表例如烷基链；R2代表例如可用烷基保护的羧基；R3代表例如可选保护的羟基；R4代表例如可选取代的环烷氧基团；R5代表例如氢原子或其盐。该化合物具有抗关节炎活性，能抑制由关节炎引起的骨破坏，并提供高安全性和优异的药代动力学，因此可用作治疗关节炎的药物。这些化合物具有抑制AP-1活性的作用，可用作预防或治疗与过度表达AP-1有关的疾病的药物。
• 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：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。
• Benzophenone derivatives or salts thereof
  申请人：Toyama Chemical Co., Ltd.

  公开号：US07772285B2

  公开（公告）日：2010-08-10

  A benzophenone derivative represented by the following formula: wherein R1 represents, for example, an optionally substituted heterocyclic group, or a substituted phenyl group; Z represents, for example, an alkylene group; R2 represents, for example, a carboxyl group optionally protected with alkyl; R3 represents, for example, an optionally protected hydroxyl group; R4 represents, for example, an optionally substituted cycloalkyloxy group; and R5 represents, for example, a hydrogen atom, or a salt thereof has anti-arthritic activity, inhibits bone destruction caused by arthritis, and provides high safety and excellent pharmacokinetics and thus is useful as therapeutic agent for arthritis. These compounds have inhibitory effect on AP-1 activity and are useful as preventive or therapeutic agent for diseases in which excessive expression of AP-1 is involved.

  以下是一种苯甲酮衍生物的化学式： 其中，R1代表可选取代的杂环基团或取代的苯基团；Z代表例如烷基基团；R2代表例如可选用烷基保护的羧基；R3代表例如可选用保护的羟基；R4代表例如可选取代的环烷氧基团；R5代表例如氢原子。该化合物或其盐具有抗关节炎活性，能够抑制因关节炎引起的骨质破坏，具有高安全性和优异的药代动力学，因此可用作治疗关节炎的药物。这些化合物具有对AP-1活性的抑制作用，可用作预防或治疗与过度表达AP-1有关的疾病的药物。
• 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