2-bromo-1-dodecoxybenzene | 26910-11-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-bromo-1-dodecoxybenzene
• 英文别名: 1-bromo-2-(dodecyloxy)benzene；o-Dodecyloxybrombenzol；1-bromo-2-n-dodecyloxybenzene；1-Bromo-2-dodecoxybenzene
• CAS: 26910-11-2
• 化学式: C₁₈H₂₉BrO
• 分子量: 341.332
• InChiKey: QMQFDNXGFIQVTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  20
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-bromo-1-dodecoxybenzene 在 2-双环己基膦-2',6'-二甲氧基联苯 、 palladium diacetate 、 sodium t-butanolate 、 三氯氧磷 作用下， 以 甲苯 为溶剂， 生成 4-(2-n-dodecyloxyphenyl)-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole-7-carbaldehyde
  参考文献：
  名称：

  N-(2-Alkoxyphenyl)-substituted double rhodanine indoline dyes for zinc oxide dye-sensitized solar cell

  摘要：

  The effect of N-(2-alkoxyphenyl) group in double rhodanine indoline dye on the performance of zinc oxide dye-sensitized solar cell was examined. Both J(sc) and V-oc were improved by introducing long alkoxy group due to prevention of H-aggregates formation and inhibition of electron recombination from zinc oxide surface to electrolyte. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.03.060
• 作为产物：
  描述：

  1-碘十二烷 、 2-溴苯酚 在 sodium hydroxide 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以32%的产率得到2-bromo-1-dodecoxybenzene
  参考文献：
  名称：

  N-(2-Alkoxyphenyl)-substituted double rhodanine indoline dyes for zinc oxide dye-sensitized solar cell

  摘要：

  The effect of N-(2-alkoxyphenyl) group in double rhodanine indoline dye on the performance of zinc oxide dye-sensitized solar cell was examined. Both J(sc) and V-oc were improved by introducing long alkoxy group due to prevention of H-aggregates formation and inhibition of electron recombination from zinc oxide surface to electrolyte. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.03.060

文献信息

• NOVEL ANTI-INFECTIOUS DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES OF SAID DERIVATIVES IN TREATMENT
  申请人：Bernadou Jean

  公开号：US20110092536A1

  公开（公告）日：2011-04-21

  The invention relates to bi-substrate inhibitor molecules associating (i) a pyridine, pyridinium or dihydropyridine-type structure allied to active metabolites of isoniazide, or related structures, and (ii) a hydrophobic substituent. The invention also relates to the method for producing said molecules, to the pharmaceutical compositions containing said molecules, and to the use thereof as inhibitors of enoyl reductase for the preparation of a medicament, especially an anti-infectious medicament for the treatment of tuberculosis.

  该发明涉及与异烟肼的活性代谢产物相关的吡啶、吡啶盐或二氢吡啶类型结构以及疏水取代基相结合的双底物抑制分子。该发明还涉及制备该分子的方法、含有该分子的药物组合物，以及将其用作烯醇还原酶抑制剂的用途，用于制备药物，特别是用于治疗结核病的抗感染药物。
• Trefoil-Shaped Porous Nanographenes Bearing a Tribenzotriquinacene Core by Three-fold Scholl Macrocyclization
  作者：Lisi He、Chun-Fai Ng、Yuke Li、Zhifeng Liu、Dietmar Kuck、Hak-Fun Chow

  DOI：10.1002/anie.201808461

  日期：2018.10.8

  Porous curved polycyclic aromatic compounds 6 and 14 bearing a tribenzotriquinacene (TBTQ) core encircled by an m,p,p,m,m,p,p,m,m,p,p,m‐cyclododecaphenylene belt were synthesized and characterized by NMR spectroscopy and mass spectrometry. These trefoil hydrocarbon macrocycles were constructed in high yield using an intramolecular three‐fold Scholl macrocyclization. X‐ray crystal analysis of 14 demonstrated

  合成了由m，p，p，m，m，m，p，p，m，m，p，p，m环十二碳联苯带环绕的带有三苯并三喹并苯（TBTQ）核的多孔弯曲多环芳族化合物6和14光谱学和质谱学。这些三叶烃大环化合物是使用分子内三倍Scholl大环化技术高收率构建的。X射线晶体分析显示14个具有三个孔（半径2.9-3.0Å）的大向导帽形结构。六正十二烷基氧基衍生物6 a的π堆积聚集和14的氯阴离子结合特性通过NMR光谱进行了研究。这样的堆积和阴离子结合特性在单个11和双大环化产物12中要弱得多。
• Gray, George W.; Lacey, David; Scrowston, Richard M., Molecular Crystals and Liquid Crystals (1969-1991), 1988, vol. 164, p. 101 - 116
  作者：Gray, George W.、Lacey, David、Scrowston, Richard M.、Shenouda, Ibrahim G.、Toyne, Kenneth J.

  DOI：——

  日期：——
• Chemical synthesis, biological evaluation and structure–activity relationship analysis of azaisoindolinones, a novel class of direct enoyl-ACP reductase inhibitors as potential antimycobacterial agents
  作者：Céline Deraeve、Ioana Miruna Dorobantu、Farah Rebbah、Frédéric Le Quéméner、Patricia Constant、Annaïk Quémard、Vania Bernardes-Génisson、Jean Bernadou、Geneviève Pratviel

  DOI：10.1016/j.bmc.2011.09.017

  日期：2011.11

  The synthesis and biological evaluation of azaisoindolinone compounds embedding a lipophilic chain on the framework were performed. These compounds were designed as InhA inhibitors and as anti-Mycobacterium tuberculosis agents. Structure-activity relationships concerning the length and the location of the lipophilic chain around the azaisoindolinone framework, the suppression of the phenyl group, the bioisosteric substitution of ether link and alkylating of the tertiary hydroxyl and the hemiamidal nitrogen were also investigated, revealing insightful information and thereby enabling further diversification of the azaisoindolinone scaffold for new antitubercular agents. (C) 2011 Elsevier Ltd. All rights reserved.
• Jaeger, David A.; Clennan, Malgorzata Wegrzyn; Jamrozik, Janusz, Journal of the American Chemical Society, 1990, vol. 112, # 3, p. 1171 - 1176
  作者：Jaeger, David A.、Clennan, Malgorzata Wegrzyn、Jamrozik, Janusz

  DOI：——

  日期：——