1-[(cyclopropylmethyl)oxy]-3-(methyloxy)benzene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-[(cyclopropylmethyl)oxy]-3-(methyloxy)benzene
• 英文别名: 1-(Cyclopropylmethoxy)-3-methoxybenzene
• 化学式: C₁₁H₁₄O₂
• 分子量: 178.231
• InChiKey: QDUFFJFZNJYLIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,3-二氟苯 在 N,N-二甲基丙烯基脲 、 potassium tert-butylate 作用下， 以 乙二醇二甲醚 、 甲苯 为溶剂， 反应 25.0h， 生成 1-[(cyclopropylmethyl)oxy]-3-(methyloxy)benzene
  参考文献：
  名称：

  Novel Synthesis of Desymmetrized Resorcinol Derivatives:  Aryl Fluoride Displacement on Deactivated Substrates

  摘要：

  A short, high-yielding synthesis of differentially substituted resorcinol derivatives has been developed that utilizes 1,3difluorobenzene as the starting material and employs sequential nucleophilic aromatic substitution (SNAr) reactions to generate desymmetrized products. The scope and limitations of the second SNAr reaction on the deactivated 1-alkoxy-3-fluorobenzene intermediates have been investigated. This methodology has also been employed in the synthesis of desymmetrized catechol derivatives from 1,2difluorobenzene.

  DOI：

  10.1021/jo0523868

文献信息

• Bicyclic Pyrrole Derivatives
  申请人：Nakahira Hiroyuki

  公开号：US20080318922A1

  公开（公告）日：2008-12-25

  Compounds represented by the general formula (I), prodrugs thereof, or pharmaceutically acceptable salts of both are provided as compounds which have high DPP-IV inhibiting activity and are improved in safety, toxicity and so on: (I) wherein the solid line and dotted line between A 1 and A 2 represents a double bond (A 1 =A 2 ) or the like; A 1 is C(R 4 ) or the like; A 2 is nitrogen atom or the like; R 1 is hydrogen atom, optionally substituted alkyl group, or the like; R 2 is hydrogen atom, optionally substituted alkyl group, or the like; R 3 is hydrogen atom, halogen atom, or the like; R 4 is hydrogen atom, hydroxyl, halogen atom, or the like; and Y is a group represented by the general formula (A) or the like; (A) [wherein m1 is 0, 1, 2 or 3; and the group (A) may be freed from R 6 or substituted with one or two R 6 's which are each independently halogen atom or the like.]

  提供了一种通式(I)、其前药或两者的药物可接受盐作为具有高DPP-IV抑制活性并在安全性、毒性等方面得到改进的化合物：(I)其中A1和A2之间的实线和虚线表示双键(A1=A2)或类似物；A1是C(R4)或类似物；A2是氮原子或类似物；R1是氢原子、可选取代烷基或类似物；R2是氢原子、可选取代烷基或类似物；R3是氢原子、卤原子或类似物；R4是氢原子、羟基、卤原子或类似物；Y是由通式(A)或类似物表示的基团；(A)[其中m1为0、1、2或3；基团(A)可以从R6中释放或用一个或两个R6替代，它们各自独立地是卤原子或类似物。]
• BICYCLIC PYRROLE DERIVATIVES
  申请人：Nakahira Hiroyuki

  公开号：US20090192129A1

  公开（公告）日：2009-07-30

  Compounds represented by the general formula (I), prodrugs thereof, or pharmaceutically acceptable salts of both are provided as compounds which have high DPP-IV inhibiting activity and are improved in safety, toxicity and so on: (I) wherein the solid line and dotted line between A 1 and A 2 represents a double bond (A 1 =A 2 ) or the like; A 1 is C(R 4 ) or the like; A 2 is nitrogen atom or the like; R 1 is hydrogen atom, optionally substituted alkly group, or the like; R 2 is hydrogen atom, optionally substituted alkyl group, or the like; R 3 is hydrogen atom, halogen atom, or the like; R 4 is hydrogen atom, hydroxyl, halogen atom, or the like; and Y is a group represented by the general formula (A) or the like; (A) [wherein m1 is 0, 1, 2 or 3; and the group (A) may be freed from R 6 or substituted with one or two R 6 's which are each independently halogen atom or the like.]

  提供了由通式（I）表示的化合物，其前药或两者的药物可接受的盐，这些化合物具有高DPP-IV抑制活性，并在安全性，毒性等方面得到改善：（I），其中A1和A2之间的实线和虚线表示双键（A1 = A2）或类似物; A1是C（R4）或类似物; A2是氮原子或类似物; R1是氢原子，可选地取代的烷基或类似物; R2是氢原子，可选地取代的烷基或类似物; R3是氢原子，卤原子或类似物; R4是氢原子，羟基，卤原子或类似物; Y是由通式（A）或类似物表示的基团;（A）[其中m1为0,1,2或3;基团（A）可以从R6中释放或用一个或两个R6（它们各自独立地是卤原子或类似物）取代]。
• Novel Synthesis of Desymmetrized Resorcinol Derivatives:  Aryl Fluoride Displacement on Deactivated Substrates
  作者：Aujin Kim、Jeremiah D. Powers、Jennifer F. Toczko

  DOI：10.1021/jo0523868

  日期：2006.3.1

  A short, high-yielding synthesis of differentially substituted resorcinol derivatives has been developed that utilizes 1,3difluorobenzene as the starting material and employs sequential nucleophilic aromatic substitution (SNAr) reactions to generate desymmetrized products. The scope and limitations of the second SNAr reaction on the deactivated 1-alkoxy-3-fluorobenzene intermediates have been investigated. This methodology has also been employed in the synthesis of desymmetrized catechol derivatives from 1,2difluorobenzene.