4-叔丁基-2-乙氧基苯甲腈 | 168036-27-9

• 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: 4-叔丁基-2-乙氧基苯甲腈
• 中文别名: 4-(叔丁基)-2-乙氧基苯甲腈
• 英文名称: 4-(tert-butyl)-2-ethoxybenzonitrile
• 英文别名: 4-tert-butyl-2-ethoxybenzonitrile
• CAS: 168036-27-9
• 化学式: C₁₃H₁₇NO
• 分子量: 203.284
• InChiKey: NQGYIYWKHAGKDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  4-叔丁基-2-乙氧基苯甲腈 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 N-{4-[3-(4-tert-Butyl-2-ethoxy-benzyl)-thioureidomethyl]-phenyl}-methanesulfonamide
  参考文献：
  名称：

  N-4-Methansulfonamidobenzyl-N′-2-substituted-4-tert-butyl-benzyl thioureas as potent vanilloid receptor antagonistic ligands

  摘要：

  A series of N-4-methansulfonamidobenzyl-M-2-substituted-4-tert-butylbenzyl thioureas were prepared for the study of their agonistic/antagonistic activities to the vanilloid receptor in rat DRG neurons. Their structure-activity relationship reveals that there is a space for another hydrophobic binding interaction around 2-position in 4-tert-butylbenzyl region. Among the prepared derivatives, 6n show the highest antagonistic activity against the vanilloid receptor (IC50 = 15 nM). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.041
• 作为产物：
  描述：

  3-叔丁基苯酚 在 potassium carbonate 作用下， 以 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 19.33h， 生成 4-叔丁基-2-乙氧基苯甲腈
  参考文献：
  名称：

  N-4-Methansulfonamidobenzyl-N′-2-substituted-4-tert-butyl-benzyl thioureas as potent vanilloid receptor antagonistic ligands

  摘要：

  A series of N-4-methansulfonamidobenzyl-M-2-substituted-4-tert-butylbenzyl thioureas were prepared for the study of their agonistic/antagonistic activities to the vanilloid receptor in rat DRG neurons. Their structure-activity relationship reveals that there is a space for another hydrophobic binding interaction around 2-position in 4-tert-butylbenzyl region. Among the prepared derivatives, 6n show the highest antagonistic activity against the vanilloid receptor (IC50 = 15 nM). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.041

文献信息

• Phosphination of Phenol Derivatives and Applications to Divergent Synthesis of Phosphine Ligands
  作者：Chenchen Li、Kezhuo Zhang、Minghao Zhang、Wu Zhang、Wanxiang Zhao

  DOI：10.1021/acs.orglett.1c03227

  日期：2021.11.19

  describe a general and efficient protocol for the synthesis of organophosphine compounds from phenols and phosphines (R2PH) via a metal-free C–O bond cleavage and C–P bond formation process. This approach exhibits broad substrate scope and excellent functional group tolerance. The synthetic utilities of this protocol were demonstrated by the synthesis of chiral ligands via the various transformations

  我们描述了通过无金属 C-O 键断裂和 C-P 键形成过程从酚类和膦 (R 2 PH)合成有机膦化合物的通用和有效方案。这种方法表现出广泛的底物范围和优异的官能团耐受性。通过氰基的各种转化及其在不对称催化中的应用来合成手性配体，证明了该协议的合成效用。
• Triazole derivatives, insecticide, acaricide and methods thereof
  申请人：Ihara Chemical Industry Co. Ltd.

  公开号：US05616594A1

  公开（公告）日：1997-04-01

  The invention provides a triazole derivative represented by a general formula ##STR1## (wherein R.sup.1 is an alkyl group, X is a hydrogen atom, a halogen atom or an alkyl group, n is an integer of 1-5, Y is a halogen atom, a nitro group or an alkyl group, and m is an integer of 2-5) as well as insecticide and acaricide containing the same as an active ingredient. The triazole derivatives according to the invention exhibit an excellent effectiveness against harmful pests, particularly aphids and mites.

  本发明提供了一种由一般式##STR1##（其中R.sup.1为烷基，X为氢原子，卤素原子或烷基，n为1-5的整数，Y为卤素原子，硝基或烷基，m为2-5的整数）表示的三唑衍生物，以及含有该衍生物作为活性成分的杀虫剂和杀螨剂。根据本发明的三唑衍生物对有害害虫，特别是蚜虫和螨虫表现出优异的效果。
• TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME
  申请人：KUMIAI CHEMICAL INDUSTRY CO., LTD.

  公开号：EP0648752A1

  公开（公告）日：1995-04-19

  A triazole derivative represented by general formula (I) and an insecticidal/acaricidal agent containing the same as the active ingredient, wherein R¹ represents alkyl; X represents hydrogen, halogen or alkyl; n represents an integer of 1 to 5; Y represents halogen, nitro or alkyl; and m represents an integer of 2 to 5. This derivative has an excellent drug action on various detrimental insects, in particular, aphids and spider mites.

  一种由通式（I）代表的三唑衍生物和一种以其为活性成分的杀虫/杀螨剂，其中 R¹ 代表烷基；X 代表氢、卤素或烷基；n 代表 1 至 5 的整数；Y 代表卤素、硝基或烷基；m 代表 2 至 5 的整数。这种衍生物对各种有害昆虫，特别是蚜虫和蜘蛛螨具有很好的药物作用。
• US5616594A
  申请人：——

  公开号：US5616594A

  公开（公告）日：1997-04-01
• US5700824A
  申请人：——

  公开号：US5700824A

  公开（公告）日：1997-12-23