2-propylthio-3-methoxymethoxy-trifluoromethylbenzene | 380611-44-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-propylthio-3-methoxymethoxy-trifluoromethylbenzene
• 英文别名: 1-(methoxymethoxy)-2-propylsulfanyl-3-(trifluoromethyl)benzene
• CAS: 380611-44-9
• 化学式: C₁₂H₁₅F₃O₂S
• 分子量: 280.311
• InChiKey: KEZCVGFQARVVIH-UHFFFAOYSA-N

物化性质

• 沸点：
  307.5±42.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  43.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-propylthio-3-methoxymethoxy-trifluoromethylbenzene 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 以84%的产率得到2-propylthio-3-trifluoromethylphenol
  参考文献：
  名称：

  Penoxsulam—Structure–activity relationships of triazolopyrimidine sulfonamides

  摘要：

  The discovery of the sulfonamide herbicides, which inhibit the enzyme acetolactate synthase (ALS), has resulted in many investigations to exploit their herbicidal activity. One area which proved particularly productive was the N-aryltriazolo[1,5-c]pyrimidine sulfonamides, providing three commercial herbicides, cloransulam-methyl, diclosulam and florasulam. Additional structure-activity investigations by reversing the sulfonamide linkage resulted in the discovery of triazolopyrimidine sulfonamides with cereal crop selectivity and high levels of grass and broadleaf weed control. Research efforts to exploit these high levels of weed activity ultimately led to the discovery of penoxsulam, a new herbicide developed for grass, sedge and broadleaf weed control in rice. Synthetic efforts and structure-activity relationships leading to the discovery of penoxsulam will be discussed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.02.010
• 作为产物：
  描述：

  1-(甲氧基甲氧基)-3-(三氟甲基)苯 、 二丙基二硫 在 正丁基锂 、 四甲基乙二胺 、 二异丙胺 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成 2-propylthio-3-methoxymethoxy-trifluoromethylbenzene
  参考文献：
  名称：

  Penoxsulam—Structure–activity relationships of triazolopyrimidine sulfonamides

  摘要：

  The discovery of the sulfonamide herbicides, which inhibit the enzyme acetolactate synthase (ALS), has resulted in many investigations to exploit their herbicidal activity. One area which proved particularly productive was the N-aryltriazolo[1,5-c]pyrimidine sulfonamides, providing three commercial herbicides, cloransulam-methyl, diclosulam and florasulam. Additional structure-activity investigations by reversing the sulfonamide linkage resulted in the discovery of triazolopyrimidine sulfonamides with cereal crop selectivity and high levels of grass and broadleaf weed control. Research efforts to exploit these high levels of weed activity ultimately led to the discovery of penoxsulam, a new herbicide developed for grass, sedge and broadleaf weed control in rice. Synthetic efforts and structure-activity relationships leading to the discovery of penoxsulam will be discussed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.02.010

文献信息

• Process for the selective deprotonation and functionalization of 3-substituted benzotrifluorides
  申请人：——

  公开号：US20020010375A1

  公开（公告）日：2002-01-24

  3-Substituted benzotrifluorides are selectively deprotonated and functionalized in the 2-position. The selectivity is achieved by equilibrating the mixture of lithiobenzotrifluorides initially formed in the presence of a primary or secondary amine catalyst.

  3-取代苯三氟化物在2-位选择性去质子化和官能化。该选择性是通过在一级或二级胺催化剂的存在下平衡最初形成的锂苯三氟化物混合物来实现的。
• PROCESS FOR THE SELECTIVE DEPROTONATION AND FUNCTIONALIZATION OF 3-SUBSTITUTED BENZOTRIFLUORIDES
  申请人：Dow AgroSciences LLC

  公开号：EP1290001B1

  公开（公告）日：2004-11-03
• US6462240B2
  申请人：——

  公开号：US6462240B2

  公开（公告）日：2002-10-08