11-methylene-5,6,8,9-tetrahydro-5,9-propano-7H-benzocyclohepten-7-one | 89229-05-0

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 11-methylene-5,6,8,9-tetrahydro-5,9-propano-7H-benzocyclohepten-7-one
• 英文别名: 7-methylene-6,7,8,9-tetrahydro-5H-5,9-propanobenzo[7]annulen-11-one；5,9-Propano-7H-benzocyclohepten-7-one, 5,6,8,9-tetrahydro-11-methylene-；13-methylidenetricyclo[6.3.3.02,7]tetradeca-2,4,6-trien-10-one
• CAS: 89229-05-0
• 化学式: C₁₅H₁₆O
• 分子量: 212.291
• InChiKey: MGMGMNFELLVTJZ-UHFFFAOYSA-N

物化性质

• 熔点：
  114-115 °C
• 沸点：
  329.5±42.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  11-methylene-5,6,8,9-tetrahydro-5,9-propano-7H-benzocyclohepten-7-one 在 二乙胺基三氟化硫 、 硫酸 、 hydrochloric acid diethyl ether 、 溶剂黄146 、 硫脲 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 9-fluoro-5,6,8,9,10,11-hexahydro-7H-5,9:7,11-dimethanobenzo[9]annulen-7-amine hydrochloride
  参考文献：
  名称：

  Novel benzopolycyclic amines with NMDA receptor antagonist activity

  摘要：

  A new series of benzopolycyclic amines active as NMDA receptor antagonists were synthesized. Most of them exhibited increased activity compared with related analogues previously published. All the tested compounds were more potent than clinically approved amantadine and one of them displayed a lower IC50 value than memantine, an anti-Alzheimer's approved drug. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.03.025
• 作为产物：
  描述：

  1,3-丙酮二羧酸二甲酯 在 二乙胺 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 70.0~160.0 ℃ 、2.0 kPa 条件下， 反应 1.5h， 生成 11-methylene-5,6,8,9-tetrahydro-5,9-propano-7H-benzocyclohepten-7-one
  参考文献：
  名称：

  Amini; Bishop, Roger, Australian Journal of Chemistry, 1983, vol. 36, # 12, p. 2465 - 2472

  摘要：

  DOI：

文献信息

• Amini; Bishop, Roger; Burgess, Graham, Australian Journal of Chemistry, 1989, vol. 42, # 11, p. 1919 - 1928
  作者：Amini、Bishop, Roger、Burgess, Graham、Craig, Donald C.、Dance, Ian G.、Scudder, Marcia L.

  DOI：——

  日期：——
• Antibacterial activity of novel benzopolycyclic amines
  作者：Marta Barniol-Xicota、Alex Escandell、Elena Valverde、Esther Julián、Eduard Torrents、Santiago Vázquez

  DOI：10.1016/j.bmc.2014.11.041

  日期：2015.1

  Staphylococcus aureus, especially strains resistant to multiple antibiotics, is a major pathogen for humans and animals. In this paper we have synthesized and evaluated the antibacterial activity of a new series of benzopolycyclic amines. Some of them exhibited mu M MIC values against Staphylococcus aureus and other bacteria, including methicillin-resistant S. aureus MRSA. Compound 8 that displayed a good selectivity index, showed to be active in eliminating bacterial cells forming a preexisting biofilm. (C) 2014 Elsevier Ltd. All rights reserved.
• AMINI;BISHOP, ROGER;BURGESS, GRAHAM;CRAIG, DONALD C.;DANCE, IAN G.;SCUDDE+, AUSTRAL. J. CHEM., 42,(1989) N1, C. 1919-1928
  作者：AMINI、BISHOP, ROGER、BURGESS, GRAHAM、CRAIG, DONALD C.、DANCE, IAN G.、SCUDDE+

  DOI：——

  日期：——
• BISHOP, R.;BISHOP, A., AUSTRAL. J. CHEM., 1983, 36, N 12, 2465-2472
  作者：BISHOP, R.、BISHOP, A.

  DOI：——

  日期：——
• Amini; Bishop, Roger, Australian Journal of Chemistry, 1983, vol. 36, # 12, p. 2465 - 2472
  作者：Amini、Bishop, Roger

  DOI：——

  日期：——