1-氯-2,4-二甲氧基-5-甲基苯 | 85034-00-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-氯-2,4-二甲氧基-5-甲基苯
• 英文名称: 1-chloro-2,4-dimethoxy-5-methylbenzene
• 英文别名: 5-chloro-2,4-dimethoxytoluene
• CAS: 85034-00-0
• 化学式: C₉H₁₁ClO₂
• 分子量: 186.638
• InChiKey: HZMCBZVRNDZXSH-UHFFFAOYSA-N

物化性质

• 熔点：
  89-90 °C
• 沸点：
  255.6±35.0 °C(Predicted)
• 密度：
  1.126±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-氯-2,4-二甲氧基-5-甲基苯 在 N-氯代丁二酰亚胺 、 正丁基锂 、 三溴化硼 、 magnesium methanolate 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 正己烷 、 正庚烷 、 二氯甲烷 为溶剂， 反应 28.34h， 生成 2,6-dichloro-5-hydroxy-8-methyl-[1]benzopyrano[2,3-b]pyrrol-4(1H)-one
  参考文献：
  名称：

  Total Synthesis of the Pyralomicinones

  摘要：

  DOI：

  10.1021/jo972340h
• 作为产物：
  描述：

  2,4-二甲氧基甲苯 在 氧气 、 lithium chloride 、 copper dichloride 作用下， 以 溶剂黄146 为溶剂， 80.0 ℃ 、101.33 kPa 条件下， 反应 24.0h， 以75%的产率得到1-氯-2,4-二甲氧基-5-甲基苯
  参考文献：
  名称：

  Regioselective copper-catalyzed chlorination and bromination of arenes with O2 as the oxidant

  摘要：

  在CuX2、LiX（X = Cl，Br）和氧气存在下，富电子芳香C-H键会发生区域选择性氯化和溴化。初步的机理洞察表明，溴化和氯化反应通过不同的途径进行。

  DOI：

  10.1039/b915487f

文献信息

• PYRAZOLOPYRIMIDINE DERIVATIVE
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP1903045A1

  公开（公告）日：2008-03-26

  A pyrazolopyrimidine derivative of the formula [I] wherein R1 is an optionally substituted aromatic ring group, an optionally substituted lower alkyl group or an optionally substituted amino group; R2 is an optionally substituted aromatic ring group; R3 is an optionally substituted lower alkyl group; and R4 is a hydrogen atom, a lower alkyl group, a halogen atom, a nitro group or an amino group; or a pharmaceutically acceptable salt thereof is useful as an antagonist of CRF receptor.

  公式[I]中的吡唑吡嘧啶衍生物，其中R1是可选择取代的芳香环基团、可选择取代的较低烷基基团或可选择取代的氨基团；R2是可选择取代的芳香环基团；R3是可选择取代的较低烷基基团；R4是氢原子、较低烷基基团、卤素原子、硝基基团或氨基团；或其药用可接受盐可用作CRF受体拮抗剂。
• Pyrazolopyrimidine Derivative
  申请人：Kashiwagi Toshihiko

  公开号：US20090234117A1

  公开（公告）日：2009-09-17

  A pyrazolopyrimidine derivative of the formula [I] wherein R 1 is an optionally substituted aromatic ring group, an optionally substituted lower alkyl group or an optionally substituted amino group; R 2 is an optionally substituted aromatic ring group; R 3 is an optionally substituted lower alkyl group; and R 4 is a hydrogen atom, a lower alkyl group, a halogen atom, a nitro group or an amino group; or a pharmaceutically acceptable salt thereof is useful as an antagonist of CRF receptor.

  公式[I]中的吡唑吡嗪衍生物，其中R1是可选取代的芳香环基团、可选取代的较低烷基团或可选取代的氨基团；R2是可选取代的芳香环基团；R3是可选取代的较低烷基团；R4是氢原子、较低烷基团、卤原子、硝基或氨基团；或其药学上可接受的盐，可用作CRF受体拮抗剂。
• Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein
  申请人：Honda Takahiro

  公开号：US20070149574A1

  公开（公告）日：2007-06-28

  A novel cyclic compound having a 4-pyridylalkylthio group having an (un)substituted amino group introduced therein or a salt thereof. They are useful as a medicine. The cyclic compound is a compound represented by the following formula (1), which is useful for the treatment of diseases in which angiogenesis participates. In the following formula (1), ring A represents a benzene ring or a 5- or 6-membered aromatic heterocycle optionally fused with a cycloalkane ring; B represents alkylene; R 1 and R 2 each represents H, (substituted) aryl, (substituted) heterocyclic group, etc.; R 3 and R 4 each represents H, (substituted) alkyl, (substituted) cycloalkyl, -Z-R 5 , etc.; R 5 represents (substituted) alkyl, (substituted) aryl, (substituted) heterocyclic group, etc.; X and Y each represents H, etc.; Z represents —CO—, —COO—, —CONR 6 —, —SO 2 —, etc.; R 6 represents H, etc.; p is 0, 1, or 2; and q is 0 or 1.

  一种具有4-吡啶基烷基硫基团的新型环状化合物，其中引入了（未）取代氨基或其盐。它们可用作药物。环状化合物是由以下式（1）表示的化合物，可用于治疗参与血管生成的疾病。在下式（1）中，环A表示苯环或5-或6-成员芳香杂环，可选择地与环烷环融合；B表示烷基；R1和R2各表示H，（取代）芳基，（取代）杂环基等；R3和R4各表示H，（取代）烷基，（取代）环烷基，-Z-R5等；R5表示（取代）烷基，（取代）芳基，（取代）杂环基等；X和Y各表示H等；Z表示-CO-，-COO-，-CONR6-，-SO2-等；R6表示H等；p为0、1或2；q为0或1。
• Novel Cyclic Compound Having Pyrimidinylalkylthio Group
  申请人：Tajima Hisashi

  公开号：US20090291951A1

  公开（公告）日：2009-11-26

  The present invention has its object to study synthesis of novel cyclic compounds having a pyrimidinylalkylthio group and to find pharmacological actions of the compounds. According to the present invention, a compound represented by the formula (1) or a salt thereof is provided. In the formula, the ring X represents: R 1 and R 2 independently represent a hydrogen atom, an alkyl group, an aryl group, an aromatic heterocyclic group or the like; R 3 represents a hydrogen atom, a halogen atom, a hydroxy group, an alkoxy group, an aryloxy group, an alkyl group, an aryl group, an amino group, an alkylamino group or the like; A 1 represents a sulfur atom or the like; and A 2 represents an alkylene group.

  本发明旨在研究具有嘧啶基烷基硫基团的新型环状化合物的合成，并找到这些化合物的药理作用。根据本发明，提供了由式（1）表示的化合物或其盐。其中，环X表示：R1和R2独立地表示氢原子、烷基、芳基、芳香杂环基或类似物；R3表示氢原子、卤原子、羟基、烷氧基、芳氧基、烷基、芳基、氨基、烷基氨基或类似物；A1表示硫原子或类似物；A2表示烷基链。
• Novel cyclic compound having pyrimidinylalkylthio group
  申请人：Tajima Hisashi

  公开号：US20110124646A1

  公开（公告）日：2011-05-26

  A method of treating a disease associated with angiogenesis by administering a therapeutically effective amount of a compound represented by the formula (1) or a salt thereof wherein the ring X represents R 1 and R 2 independently represent a hydrogen atom, an alkyl, an aryl or an aromatic heterocyclic; R 3 represents a hydrogen atom, a halogen atom, a hydroxy, an alkoxy, an aryloxy, an alkyl, an aryl, an amino, an alkylamino, a cycloalkylamino, an arylamino, an alkylcarbonylamino, an arylcarbonylamino, a mercapto, an alkylthio, an arylthio, an alkylsulfinyl or a nonaromatic heterocyclic; A 1 represents a sulfur atom, a sulfinyl or a sulfonyl; and A 2 represents an alkylene.

  通过给予化合物公式（1）或其盐的治疗有效量，治疗与血管生成相关的疾病的方法，其中环X代表R1和R2分别代表氢原子，烷基，芳基或芳香族杂环；R3代表氢原子，卤原子，羟基，烷氧基，芳氧基，烷基，芳基，氨基，烷基氨基，环烷基氨基，芳基氨基，烷基羰基氨基，芳基羰基氨基，巯基，烷硫基，芳硫基，烷基亚磺酰基或非芳香族杂环；A1代表硫原子，亚磺酰基或磺酰基；A2代表烷基。