1-methyl-2-m-fluorophenoxyethylamine | 167087-56-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-methyl-2-m-fluorophenoxyethylamine
• 英文别名: 1-(2-Aminopropoxy)-3-fluorobenzene；1-(3-fluorophenoxy)propan-2-amine
• CAS: 167087-56-1
• 化学式: C₉H₁₂FNO
• mdl: MFCD06247710
• 分子量: 169.199
• InChiKey: KQNWMBRZAOIDBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (R,S)-t-butyl cyanoacetyl chloride 、 1-methyl-2-m-fluorophenoxyethylamine 在 三乙胺 作用下， 生成 (R)-2-Cyano-N-[2-(3-fluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide
  参考文献：
  名称：

  Design of scytalone dehydratase inhibitors as rice blast fungicides: (N-phenoxypropyl)-carboxamides

  摘要：

  Insights gained from a crystal structure of scytalone dehydratase led to the design of carboxamide inhibitors with a phenoxypropyl group substituted on the nitrogen atom. Potent enzyme inhibitors were synthesized around this motif, the best of which provided excellent control of rice blast disease in greenhouse assays and outdoor field trials. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00246-2
• 作为产物：
  描述：

  1-(3-Fluoro-phenoxy)-propan-2-one 在 ammonium acetate 、 sodium cyanoborohydride 作用下， 生成 1-methyl-2-m-fluorophenoxyethylamine
  参考文献：
  名称：

  Design of scytalone dehydratase inhibitors as rice blast fungicides: (N-phenoxypropyl)-carboxamides

  摘要：

  Insights gained from a crystal structure of scytalone dehydratase led to the design of carboxamide inhibitors with a phenoxypropyl group substituted on the nitrogen atom. Potent enzyme inhibitors were synthesized around this motif, the best of which provided excellent control of rice blast disease in greenhouse assays and outdoor field trials. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00246-2

文献信息

• Triazine derivatives and herbicides containing said derivatives
  申请人：IDEMITSU KOSAN COMPANY LIMITED

  公开号：EP0273328A2

  公开（公告）日：1988-07-06

  Novel triazine derivatives represented by the general formula (I): (wherein all the symbols are as defined in the appended claims), and herbicides containing the triazine derivatives of the general formula (I) as effective component. These triazine derivatives can exhibit their herbicidal activity against various types of weeds from annual weeds to perennial weeds while causing no injury against paddy rice plants. Thus the herbicides of the present invention have advantages in that the herbicidal effect is great, the chemical damage is low, and the weed-killing spectral width is broad.

  通式(I)代表的新型三嗪衍生物： (其中所有符号如所附权利要求中所定义），以及含有通式（I）的三嗪衍生物作为有效成分的除草剂。这些三嗪衍生物可对从一年生杂草到多年生杂草等各种类型的杂草发挥除草活性，同时不会对水稻植株造成伤害。因此，本发明的除草剂具有除草效果好、化学伤害低、杀草谱宽等优点。
• US4844731A
  申请人：——

  公开号：US4844731A

  公开（公告）日：1989-07-04
• US5811424A
  申请人：——

  公开号：US5811424A

  公开（公告）日：1998-09-22
• Design of scytalone dehydratase inhibitors as rice blast fungicides: (N-phenoxypropyl)-carboxamides
  作者：Douglas B. Jordan、Thomas A. Lessen、Zdzislaw Wawrzak、John J. Bisaha、Troy C. Gehret、Stephen L. Hansen、Rand S. Schwartz、Gregory S. Basarab

  DOI：10.1016/s0960-894x(99)00246-2

  日期：1999.6

  Insights gained from a crystal structure of scytalone dehydratase led to the design of carboxamide inhibitors with a phenoxypropyl group substituted on the nitrogen atom. Potent enzyme inhibitors were synthesized around this motif, the best of which provided excellent control of rice blast disease in greenhouse assays and outdoor field trials. (C) 1999 Elsevier Science Ltd. All rights reserved.