11,12-dibenzoyl-9,10-dihydro-9,10-dimethoxy-9,10-ethenoanthracene | 96555-78-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 11,12-dibenzoyl-9,10-dihydro-9,10-dimethoxy-9,10-ethenoanthracene
• 英文别名: (16-Benzoyl-1,8-dimethoxy-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)-phenylmethanone
• CAS: 96555-78-1
• 化学式: C₃₂H₂₄O₄
• 分子量: 472.54
• InChiKey: QISQVMMOHDHMFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  11,12-dibenzoyl-9,10-dihydro-9,10-dimethoxy-9,10-ethenoanthracene 以 甲醇 为溶剂， 反应 5.0h， 以86%的产率得到(1-benzoyl-9,16-dimethoxy-2-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaenyl)-phenylmethanone
  参考文献：
  名称：

  Steady-state and laser flash photolysis studies of bridgehead-substituted dibenzobarrelenes

  摘要：

  DOI：

  10.1021/jo00214a026
• 作为产物：
  描述：

  9,10-二甲氧基蒽 、 二苯甲酰基乙炔 在 三氯化铝 作用下， 以 二氯甲烷 为溶剂， 以74%的产率得到11,12-dibenzoyl-9,10-dihydro-9,10-dimethoxy-9,10-ethenoanthracene
  参考文献：
  名称：

  Steady-state and laser flash photolysis studies of bridgehead-substituted dibenzobarrelenes

  摘要：

  DOI：

  10.1021/jo00214a026

文献信息

• Phototransformations of Bridgehead-Disubstituted Dibenzobarrelenes. Interesting Rearrangements of Dibenzosemibullvalene Intermediates Derived from 9-(Hydroxyalkyl)-10-methoxy-Substituted Dibenzobarrelenes¹
  作者：D. Ramaiah、S. A. Kumar、C. V. Asokan、T. Mathew、S. Das、N. P. Rath、M. V. George

  DOI：10.1021/jo952046u

  日期：1996.1.1

  The photochemistry of 11,12-dibenzoyl-9,10-dihydro-9-(hydroxymethyl)-10-methoxy-9,10-etheno-anthracene (7a) and 11,12-dibenzoyl-9,10-dihydro-9-(1-hydroxyethyl)-10-methoxy-9,10-ethono-anthracene (7b) has been studied through steady-state photolysis, product analysis, and laser flash photolysis. Irradiation of 7a in benzene, methanol, or acetone gave 69-72% yields of a dibenzopentalene ketone 11a, arising through a dibenzosemibullvalene precursor. Irradiation of 7b, which exists in equilibrium with its cyclic form 7b', gave a mixture of the dibenzopentalene ketone 11b (41%) and the dibenzopentalenopyran derivative, 16b' (26%). The photochemistry of 11,12-dibenzoyl-9, 10-dihydro-9, 10-dimethoxy-9, 10-ethenoanthracene (17) has been reinvestigated. Irradiation of 17 in benzene and methanol gives a 90% yield of an isomeric pentacyclic product 24, formed through the rearrangement of a dibenzosemibullvalene precursor. Irradiation of 17 in aqueous methanol gives a mixture of the dibenzopentalene ketone 22 (40%) and a pentacyclic methanol adduct 21 (34%). The structures of 7b', 11a,b, 16b', 21, and 24 were confirmed through X-ray crystallographic analysis. The 308 nm laser flash photolysis of 7a,b in benzene results in the formation of their triplets (phi T = 0.55-0.76). These triplets possess short lifetimes (0.45-0.75 ps) and are quenched by oxygen, 2,2,6,6-tetramethylpiperidinyl-1-oxy (TEMPO), 4-hydroxy-2,2,6,6-tetramethylpiperidinyl-1-oxy (HTEMPO), ferrocene, and beta-carotene at rates in the range (0.26-4.7) x 10(9) M(-1) s(-1).
• Steady-state and laser flash photolysis studies of bridgehead-substituted dibenzobarrelenes
  作者：Bulusu A. R. C. Murty、Sreedharan Pratapan、Challa V. Kumar、Paritosh K. Das、Manapurathu V. George

  DOI：10.1021/jo00214a026

  日期：1985.7