5-isopropyl-2-methylphenyl carbonochloridate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 5-isopropyl-2-methylphenyl carbonochloridate
• 英文别名: chlorocarbonic acid-(5-isopropyl-2-methyl-phenyl ester)；Kohlensaeure-carvacrylester-chlorid；Chlorokohlensaeure-(5-isopropyl-2-methyl-phenylester)；Chlorameisensaeure-carvacrylester；(2-Methyl-5-propan-2-ylphenyl) carbonochloridate；(2-methyl-5-propan-2-ylphenyl) carbonochloridate
• 化学式: C₁₁H₁₃ClO₂
• 分子量: 212.676
• InChiKey: NFISYKNGDNURRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-isopropyl-5-methyl-cyclohexylamine 、 5-isopropyl-2-methylphenyl carbonochloridate 在 碳酸氢钠 、 Petroleum ether 作用下， 生成 ((1R)-menthyl)-carbamic acid-(5-isopropyl-2-methyl-phenyl ester)
  参考文献：
  名称：

  Pickard; Littlebury, Journal of the Chemical Society, 1907, vol. 91, p. 302

  摘要：

  DOI：
• 作为产物：
  描述：

  三光气 、 香芹酚 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 5-isopropyl-2-methylphenyl carbonochloridate
  参考文献：
  名称：

  [EN] PRODRUGS OF FENCAMFAMINE
  [FR] PROMÉDICAMENTS DE FENCAMFAMINE

  摘要：

  本文披露了包含芬卡麦非或芬卡麦非相关的前药衍生物的药物组合物，用于靶向治疗应用，并且披露了合成这些组合物的方法。

  公开号：

  WO2017048720A1

文献信息

• Synthesis and bacterial biofilm inhibition studies of ethyl N-(2-phenethyl) carbamate derivatives
  作者：Steven A. Rogers、Daniel C. Whitehead、Trey Mullikin、Christian Melander

  DOI：10.1039/c0ob00063a

  日期：——

  An 88 member library based upon the marine bacterial metabolite ethyl N-(2-phenethyl) carbamate was evaluated for bacterial biofilm inhibition against a panel of medically relevant strains. These studies culminated in the discovery of a new class of molecules capable of inhibiting the formation of S. aureus biofilms with low micromolar IC50 values.

  基于海洋细菌代谢物乙基N-(2-苯乙基)氨基甲酸酯的88成员库被评估用于抑制一系列医学相关菌株的细菌生物膜。这些研究最终发现了一类新分子，能够以低微摩尔IC50值抑制金黄色葡萄球菌生物膜的形成。
• Synthesis and nematicidal evaluation of 1,2,3-benzotriazin-4-one derivatives containing piperazine as linker against Meloidogyne incognita
  作者：Xiulei Chen、Haowu Jia、Zhong Li、Xiaoyong Xu

  DOI：10.1016/j.cclet.2019.02.033

  日期：2019.6

  To explore new skeleton with nematicidal activity, a series of novel 1,2,3-benzotriazin-4-one derivatives containing piperazine as linker were synthesized and varied fragments were also introduced to increase structure diversity of the new skeleton. Their inhibitory activities in vivo were evaluated against Meloidogyne incognita. The newly prepared compounds A6, A8, A21, A28 and A38 exhibited more than 50% inhibition at the concentration of 20 mg/L. Especially compound A6 displayed 71.4% inhibition against Meloidogyne incognita at the concentration of 20 mg/L. The nematicidal activities varied significantly depending on the types and positions of the substituents, which provided guidance for further structure modification. (C) 2019 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.