2-Isopropoxy-3-methyl-phenol | 287117-33-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-Isopropoxy-3-methyl-phenol
• 英文别名: 2-Isopropoxy-3-methylphenol；3-methyl-2-propan-2-yloxyphenol
• CAS: 287117-33-3
• 化学式: C₁₀H₁₄O₂
• 分子量: 166.22
• InChiKey: UXZXQDDOUZKHGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Isopropoxy-3-methyl-phenol 在 碘代三甲硅烷 、 四氯化钛 、 sodium hydride 作用下， 以 二氯甲烷 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 98.0h， 生成 2-methoxy-3-methylphenol
  参考文献：
  名称：

  A Concise Route to 3-Hydroxy-4-Methoxy-5-Methylbenzaldehyde Derivative

  摘要：

  3-Hydroxy-4-methoxy-5-methylbenzaldehyde derivative(1c) has been synthesized in 7 steps from 2,3-dihydroxytoluene (4). An isopropyl derivative has been used to protect a phenol during this transformation. The overall yield of 1c was 37%.

  DOI：

  10.1080/00397910008086883
• 作为产物：
  描述：

  2-溴丙烷 、 3-甲基苯邻二酚 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 15.0h， 以68.9%的产率得到2-Isopropoxy-6-methyl-phenol
  参考文献：
  名称：

  A Concise Route to 3-Hydroxy-4-Methoxy-5-Methylbenzaldehyde Derivative

  摘要：

  3-Hydroxy-4-methoxy-5-methylbenzaldehyde derivative(1c) has been synthesized in 7 steps from 2,3-dihydroxytoluene (4). An isopropyl derivative has been used to protect a phenol during this transformation. The overall yield of 1c was 37%.

  DOI：

  10.1080/00397910008086883

文献信息

• CHEMICAL PROCESSES FOR THE MANUFACTURE OF SUBSTITUTED BENZOFURANS
  申请人：Flynn Bernard Luke

  公开号：US20130211102A1

  公开（公告）日：2013-08-15

  The present invention relates to the scaled-up synthesis of biologically active compounds which display useful therapeutic activity in treating proliferative disorders. In particular the invention relates to process methods for the kilogram scale synthesis of a particular class of substituted benzofuran tubulin polymerisation inhibitors.
• US8674119B2
  申请人：——

  公开号：US8674119B2

  公开（公告）日：2014-03-18
• A Concise Route to 3-Hydroxy-4-Methoxy-5-Methylbenzaldehyde Derivative
  作者：Naoki Saito、Masashi Tachi、Ryu-Ichi Seki、Yayoi Sugawara、Eri Takeuchi、Akinori Kubo

  DOI：10.1080/00397910008086883

  日期：2000.7

  3-Hydroxy-4-methoxy-5-methylbenzaldehyde derivative(1c) has been synthesized in 7 steps from 2,3-dihydroxytoluene (4). An isopropyl derivative has been used to protect a phenol during this transformation. The overall yield of 1c was 37%.