3-methyl-2,3-dihydro-benzofuran-4-carbaldehyde

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: 3-methyl-2,3-dihydro-benzofuran-4-carbaldehyde
• 英文别名: 3-Methyl-2,3-dihydro-1-benzofuran-4-carbaldehyde
• 化学式: C₁₀H₁₀O₂
• mdl: MFCD09033723
• 分子量: 162.188
• InChiKey: KKJBIWWNCUDYGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-烯丙氧基-苯甲醛 在 盐酸 、 Wilkinson's catalyst 、 4 A molecular sieve 作用下， 以 氘代甲苯 、 水 、 苯 为溶剂， 反应 35.0h， 生成 3-methyl-2,3-dihydro-benzofuran-4-carbaldehyde
  参考文献：
  名称：

  通过定向CH键活化芳香胺

  摘要：

  提出了一种直接的CH键活化方法，用于合成茚满，四氢萘，二氢呋喃，二氢吲哚和其他多环芳族化合物。使用（PPh 3）3 RhCl（Wilkinson's催化剂）已经实现了在相对于亚胺定向基团的间位上束缚有链烯基的芳族酮亚胺和醛亚胺的环化。一系列芳香酮亚胺和醛亚胺的环化为双环和三环系统提供了良好的区域选择性。可以通过单取代的1，1-或1,2-二取代的和三取代的烯烃同时带有富电子和缺电子的官能团来获得不同的环尺寸和取代方式。

  DOI：

  10.1021/jo050757e

文献信息

• SULFONAMIDE COMPOUND OR SALT THEREOF
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：EP3466934A1

  公开（公告）日：2019-04-10

  The present invention provides a novel sulfonamide compound having a ribonucleotide reductase inhibitory activity or a salt thereof, and a pharmaceutical composition containing the same as an active ingredient. A compound represented by Formula (I) [wherein, X1 represents an oxygen atom or the like; X2 represents an oxygen atom; X3 represents -NH-; X4 represents a hydrogen atom or the like; R1 represents -C(R11)(R12)- or the like; R11 and R12 are the same or different and each represents a hydrogen atom or the like; R2 represents an optionally substituted C6-C14 aromatic hydrocarbon group or the like; R3 represents an optionally substituted C6-C14 aromatic hydrocarbon group or the like; R4 represents a hydrogen atom or the like] or a salt thereof.

  本发明提供了一种具有核糖核苷酸还原酶抑制活性的新型磺酰胺化合物或其盐，以及含有该化合物作为活性成分的药物组合物。 由式(I)代表的化合物[其中，X1代表氧原子或类似物；X2代表氧原子；X3代表-NH-；X4代表氢原子或类似物；R1代表-C(R11)(R12)-或类似物；R11和R12相同或不同且各自代表氢原子或类似物；R2代表任选取代的C6-C14芳烃基团或类似物；R3代表任选取代的C6-C14芳烃基团或类似物；R4代表氢原子或类似物]或其盐。
• Sulfonamide compound or salt thereof
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：US10889555B2

  公开（公告）日：2021-01-12

  The present invention provides a novel sulfonamide compound having a ribonucleotide reductase inhibitory activity or a salt thereof, and a pharmaceutical composition containing the same as an active ingredient. A compound represented by Formula (I) [wherein, X1 represents an oxygen atom or the like; X2 represents an oxygen atom; X3 represents —NH—; X4 represents a hydrogen atom or the like; R1 represents —C(R11)(R12)— or the like; R11 and R12 are the same or different and each represents a hydrogen atom or the like; R2 represents an optionally substituted C6-C14 aromatic hydrocarbon group or the like; R3 represents an optionally substituted C6-C14 aromatic hydrocarbon group or the like; R4 represents a hydrogen atom or the like] or a salt thereof.

  本发明提供了一种具有核糖核苷酸还原酶抑制活性的新型磺酰胺化合物或其盐，以及含有该化合物作为活性成分的药物组合物。 由式(I)代表的化合物[其中，X1代表氧原子或类似物；X2代表氧原子；X3代表-NH-；X4代表氢原子或类似物；R1代表-C(R11)(R12)-或类似物；R11和R12相同或不同且各自代表氢原子或类似物；R2代表任选取代的C6-C14芳烃基团或类似物；R3代表任选取代的C6-C14芳烃基团或类似物；R4代表氢原子或类似物]或其盐。
• Annulation of Aromatic Imines via Directed C−H Activation with Wilkinson's Catalyst
  作者：R. K. Thalji、K. A. Ahrendt、R. G. Bergman、J. A. Ellman

  DOI：10.1021/ja016642j

  日期：2001.10.1
• Sulfonamide Compound or Salt Thereof
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：US20200157066A1

  公开（公告）日：2020-05-21

  The present invention provides a novel sulfonamide compound having a ribonucleotide reductase inhibitory activity or a salt thereof, and a pharmaceutical composition containing the same as an active ingredient. A compound represented by Formula (I) [wherein, X 1 represents an oxygen atom or the like; X 2 represents an oxygen atom; X 3 represents —NH—; X 4 represents a hydrogen atom or the like; R 1 represents —C(R 11 )(R 12 )— or the like; R 11 and R 12 are the same or different and each represents a hydrogen atom or the like; R 2 represents an optionally substituted C 6 -C 14 aromatic hydrocarbon group or the like; R 3 represents an optionally substituted C 6 -C 14 aromatic hydrocarbon group or the like; R 4 represents a hydrogen atom or the like] or a salt thereof.
• Antitumor Agent
  申请人：Taiho Pharmaceutical Co., Ltd

  公开号：US20200405697A1

  公开（公告）日：2020-12-31

  The present invention provides a method of enhancing an antitumor effect by a compound strongly inhibiting ribonucleotide reductase (RNR) or a salt thereof. A combination formulation involving combined administration of a sulfonamide compound represented by Formula (I) [In the formula, X 1 represents an oxygen atom or the like; X 2 represents an oxygen atom; X 3 represents —NH—; X 4 represents a hydrogen atom or the like; R 1 represents —C(R 11 ) (R 12 )— or the like; R 11 and R 12 are the same or different and each represents a hydrogen atom or the like; R 2 represents an optionally substituted C6-C14 aromatic hydrocarbon group or the like; R 3 represents an optionally substituted C6-C14 aromatic hydrocarbon group or the like; R 4 represents a hydrogen atom or the like] or a salt thereof, having RNR inhibitory activity, and other antitumor agent(s).