3-(3-methylbutyl)-3H-2-benzofuran-1-one | 130783-58-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 3-(3-methylbutyl)-3H-2-benzofuran-1-one
• CAS: 130783-58-3
• 化学式: C₁₃H₁₆O₂
• 分子量: 204.269
• InChiKey: NXTSGCWTACCXAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(3-methylbutyl)-3H-2-benzofuran-1-one 在 盐酸 、 sodium hydroxide 作用下， 反应 1.0h， 生成 (3R)-3-(3-methylbutyl)-3H-2-benzofuran-1-one
  参考文献：
  名称：

  Synthesis, resolution, and antiplatelet activity of 3-substituted 1(3H)-isobenzofuranone

  摘要：

  A series of 3-substituted-1(3H)-isobenzofuranone 6a-g and 7a-g were synthesized from phthalic anhydride. The compound 6a-g was resolved. The antiplatelet activities of these compounds were evaluated using in vitro experiment of platelet aggregation. The levels of antiplatelet activity were displayed as following sequence: l-isomer > dl-isomer > d-isomer, respectively. The alkylphthalide is more active than the corresponding alkenephthalide. All these compounds were less active than n-butylphthalide (NBP, 6c) and Aspirin (Asp). (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.082
• 作为产物：
  描述：

  3-hydroxy-3-isopentylisobenzofuran-1(3H)-one 在 sodium tetrahydroborate 作用下， 生成 3-(3-methylbutyl)-3H-2-benzofuran-1-one
  参考文献：
  名称：

  Synthesis, resolution, and antiplatelet activity of 3-substituted 1(3H)-isobenzofuranone

  摘要：

  A series of 3-substituted-1(3H)-isobenzofuranone 6a-g and 7a-g were synthesized from phthalic anhydride. The compound 6a-g was resolved. The antiplatelet activities of these compounds were evaluated using in vitro experiment of platelet aggregation. The levels of antiplatelet activity were displayed as following sequence: l-isomer > dl-isomer > d-isomer, respectively. The alkylphthalide is more active than the corresponding alkenephthalide. All these compounds were less active than n-butylphthalide (NBP, 6c) and Aspirin (Asp). (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.082

文献信息

• Bathing preparation
  申请人：Kao Corporation

  公开号：EP0357081A2

  公开（公告）日：1990-03-07

  A bathing preparation comprising an alkyl phthalide and/or an alkoxy phthalide and/or an alkylidene phthalide optionally together with carbon dioxide gas or a material capable of generating carbon dioxide gas and an extract of a plant belonging to the family Umbelliferae is disclosed. This bathing preparation has excellent effects of warming, retaining the warmth and accelerating blood circulation.

  本发明公开了一种沐浴制剂，其成分包括烷基邻苯二甲酸酯和/或烷氧基邻苯二甲酸酯和/或亚烷基邻苯二甲酸酯，可选择与二氧化碳气体或能够产生二氧化碳气体的材料以及一种伞形科植物的提取物一起使用。这种沐浴制剂具有极佳的取暖、保暖和加速血液循环的效果。
• APPLICATION OF PHTHALIDE COMPOUNDS
  申请人：Hawking Biological Technology Co., Ltd.

  公开号：EP2974723B1

  公开（公告）日：2018-04-11
• JPH02184683A
  申请人：——

  公开号：JPH02184683A

  公开（公告）日：1990-07-19
• US6326006B1
  申请人：——

  公开号：US6326006B1

  公开（公告）日：2001-12-04
• Synthesis, resolution, and antiplatelet activity of 3-substituted 1(3H)-isobenzofuranone
  作者：Hua Yang、Gao-Yun Hu、Jun Chen、Yi Wang、Zhong-Hua Wang

  DOI：10.1016/j.bmcl.2007.06.082

  日期：2007.9

  A series of 3-substituted-1(3H)-isobenzofuranone 6a-g and 7a-g were synthesized from phthalic anhydride. The compound 6a-g was resolved. The antiplatelet activities of these compounds were evaluated using in vitro experiment of platelet aggregation. The levels of antiplatelet activity were displayed as following sequence: l-isomer > dl-isomer > d-isomer, respectively. The alkylphthalide is more active than the corresponding alkenephthalide. All these compounds were less active than n-butylphthalide (NBP, 6c) and Aspirin (Asp). (c) 2007 Elsevier Ltd. All rights reserved.