(+/-)-3-(trans-6-nitro-cyclohex-3-enyl)-anisole | 15547-88-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (+/-)-3-(trans-6-nitro-cyclohex-3-enyl)-anisole
• 英文别名: (+/-)-3-(trans-6-Nitro-cyclohex-3-enyl)-anisol；1-Methoxy-3-((1S,6R)-6-nitro-cyclohex-3-enyl)-benzene；1-methoxy-3-[(1S,6R)-6-nitrocyclohex-3-en-1-yl]benzene
• CAS: 15547-88-3
• 化学式: C₁₃H₁₅NO₃
• 分子量: 233.267
• InChiKey: QCFZUMHDTALWNP-QWHCGFSZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (+/-)-3-(trans-6-nitro-cyclohex-3-enyl)-anisole 在 甲酸 、 双氧水 、 溶剂黄146 、 铂 作用下， 生成 4-amino-5-(3-methoxy-phenyl)-cyclohexane-1,2-diol
  参考文献：
  名称：

  Desethyllycoramine

  摘要：

  DOI：

  10.1021/ja01630a041
• 作为产物：
  描述：

  3-环丁烯砜 、 1-(3-甲氧苯基)-2-硝基乙烯 生成 (+/-)-3-(trans-6-nitro-cyclohex-3-enyl)-anisole
  参考文献：
  名称：

  Structure–activity relationships of phenylcyclohexene and biphenyl antitubulin compounds against plant and mammalian cells

  摘要：

  Phenylcyclohexenes (PCHs) [e.g., trans-4-nitro-5-(2,3,4-trimethoxyphenyl) cyclohexene, 2d] were found to bind weakly to the colchicine site of bovine tubulin, but are the first mimics of colchicine found to have high activity towards plant cells. Structure-activity relationships for PCHs and biphenyl AC-ring analogues of colchicine (e.g., 2,3,4,4'-tetramethoxy-2'-methyl-1,1'-biphenyl, 3e) are discussed. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00246-3

文献信息

• STUDIES ON THE NEF REACTION. I. THE SYNTHESIS OF 6-PHENYL-2- AND 3-CYCLOHEXEN-1-ONES AND 2-PHENYLCYCLOHEXANONES
  作者：W. C. WILDMAN、R. B. WILDMAN

  DOI：10.1021/jo01138a011

  日期：1952.4
• Structure–activity relationships of phenylcyclohexene and biphenyl antitubulin compounds against plant and mammalian cells
  作者：David H. Young、Colin M. Tice、Enrique L. Michelotti、Renee C. Roemmele、Richard A. Slawecki、Fernando M. Rubio、Judith A. Rolling

  DOI：10.1016/s0960-894x(01)00246-3

  日期：2001.6

  Phenylcyclohexenes (PCHs) [e.g., trans-4-nitro-5-(2,3,4-trimethoxyphenyl) cyclohexene, 2d] were found to bind weakly to the colchicine site of bovine tubulin, but are the first mimics of colchicine found to have high activity towards plant cells. Structure-activity relationships for PCHs and biphenyl AC-ring analogues of colchicine (e.g., 2,3,4,4'-tetramethoxy-2'-methyl-1,1'-biphenyl, 3e) are discussed. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Desethyllycoramine
  作者：W. C. Wildman、W. T. Norton

  DOI：10.1021/ja01630a041

  日期：1954.1