3-(4-phenylbutoxy)aniline | 70860-74-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(4-phenylbutoxy)aniline
• 英文别名: m-Aminophenyl-δ-phenylbutyllaether
• CAS: 70860-74-1
• 化学式: C₁₆H₁₉NO
• 分子量: 241.333
• InChiKey: BKRFNKBPFZWDPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(4-phenylbutoxy)aniline 、 N,N'-硫羰基二咪唑 以 二氯甲烷 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Design, synthesis, and anti-HCV activity of thiourea compounds

  摘要：

  A series of thiourea derivatives were synthesized and their antiviral activity was evaluated in a cell-based HCV subgenomic replicon assay. SAR studies revealed that the chain length and the position of the alkyl linker largely influenced the in vitro anti-HCV activity of this class of potent antiviral agents. Among this series of compounds synthesized, the thiourea derivative with a six-carbon alkyl linker at the meta-position of the central phenyl ring (10) was identified as the most potent anti-HCV inhibitor (EC50 = 0.047 mu M) with a selectivity index of 596. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.048
• 作为产物：
  描述：

  m-Nitrophenyl-δ-phenylbutylether 在 tin(II) chloride dihdyrate 作用下， 以 乙醇 为溶剂， 生成 3-(4-phenylbutoxy)aniline
  参考文献：
  名称：

  Design, synthesis, and anti-HCV activity of thiourea compounds

  摘要：

  A series of thiourea derivatives were synthesized and their antiviral activity was evaluated in a cell-based HCV subgenomic replicon assay. SAR studies revealed that the chain length and the position of the alkyl linker largely influenced the in vitro anti-HCV activity of this class of potent antiviral agents. Among this series of compounds synthesized, the thiourea derivative with a six-carbon alkyl linker at the meta-position of the central phenyl ring (10) was identified as the most potent anti-HCV inhibitor (EC50 = 0.047 mu M) with a selectivity index of 596. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.048

文献信息

• Herbicidal compositions and methods employing urea derivatives
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04309212A1

  公开（公告）日：1982-01-05

  Novel N'-phenyl-N-methylurea derivatives of the formula: ##STR1## wherein R.sub.1 is a hydrogen atom, a methyl group or a methoxy group, R.sub.2 is a hydrogen atom or a lower alkyl group, R.sub.3, which may be the same or different, is a halogen atom, a lower alkyl group, a lower alkoxy group, a lower alkylthio group or a trifluoromethyl group, n is an integer of 0 to 5, X is a hydrogen atom or a halogen atom, Y is an oxygen atom or a sulfur atom and Z is a straight or branched C.sub.1 -C.sub.8 alkylene group which may have no less than one atom of oxygen and/or sulfur at the terminal of and/or inside the carbon chain, which shows a pronounced herbicidal activity against a wide variety of weeds in the cultivation of crop plants as well as a notable fungicidal activity against a wide variety of phytopathogenic fungi causing plant diseases to crop plants without any material toxicity to mammals and fish or any chemical injury to said crop plants.

  新型N'-苯基-N-甲基脲衍生物的化学式如下：##STR1##其中R.sub.1是氢原子、甲基基团或甲氧基基团，R.sub.2是氢原子或低碳基团，R.sub.3（可能相同也可能不同）是卤素原子、低碳基团、低碳氧基团、低碳硫基团或三氟甲基基团，n是0到5的整数，X是氢原子或卤素原子，Y是氧原子或硫原子，Z是直链或支链的C.sub.1-C.sub.8烷基基团，末端和/或碳链内可能有不少于一个氧原子和/或硫原子，对广泛的杂草具有显著的除草活性，同时对引起植物疾病的各种植物病原真菌表现出显著的杀菌活性，对哺乳动物和鱼类没有明显毒性，也不会对作物造成化学伤害。
• Irreversible enzyme inhibitors LXXXVII. Hydrophobic bonding to dihydrofolic reductase IX. Mode of binding of m-aryloxyalkyl groups on 4, 6-diamino-1,2-dihydro-2, 2-dimethyl-1-phenyl-s-triazine
  作者：B.R. Baker、Gerhardus J. Lourens

  DOI：10.1002/jps.2600560717

  日期：1967.7
• DE2846723
  申请人：——

  公开号：——

  公开（公告）日：——
• US4309212A
  申请人：——

  公开号：US4309212A

  公开（公告）日：1982-01-05
• US4690709A
  申请人：——

  公开号：US4690709A

  公开（公告）日：1987-09-01