3,6,9-trimethyl-2,3-dihydronaphtho<1,8-bc>pyran-3-ol | 107686-35-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3,6,9-trimethyl-2,3-dihydronaphtho<1,8-bc>pyran-3-ol
• 英文别名: 4,8,12-Trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-ol
• CAS: 107686-35-1
• 化学式: C₁₅H₁₆O₂
• 分子量: 228.291
• InChiKey: BVOGXICFTRQEDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,6,9-trimethyl-2,3-dihydronaphtho<1,8-bc>pyran-3-ol 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 生成 3,6,9-trimethylnaphtho<1,8-bc>pyran
  参考文献：
  名称：

  Best, Wayne M.; Wege, Dieter, Australian Journal of Chemistry, 1986, vol. 39, # 4, p. 647 - 666

  摘要：

  DOI：
• 作为产物：
  描述：

  3-羟基-4-甲基-2-硝基苯甲酸甲酯 在 palladium on activated charcoal 盐酸 、 氢气 、 sodium methylate 、 silica gel 、 氢气 、 对甲苯磺酸 、 methyloxirane 、 肼 、 亚硝酸异戊酯 作用下， 以 苯 为溶剂， 反应 87.67h， 生成 3,6,9-trimethyl-2,3-dihydronaphtho<1,8-bc>pyran-3-ol
  参考文献：
  名称：

  苯并炔的分子内狄尔斯-阿尔德反应对甘露酮E的全合成

  摘要：

  取代的苯并炔分子会被附着的呋喃部分分子内捕获，并且这种反应已用于合成天然存在的邻萘甲醌一甘露酮E。

  DOI：

  10.1016/s0040-4039(01)92370-6

文献信息

• Intramolecular diels-alder reactions of benzynes application to the total synthesis of mansonone E
  作者：Wayne M. Best、Dieter Wege

  DOI：10.1016/s0040-4039(01)92370-6

  日期：1981.1

  Substituted benzynes san be trapped intramolecularly by an attached furan moiety and such a reaction has been used in the synthesis of the naturally occurring o-naphthoquin- one mansonone E.

  取代的苯并炔分子会被附着的呋喃部分分子内捕获，并且这种反应已用于合成天然存在的邻萘甲醌一甘露酮E。
• [EN] ANTI-CANCER AGENT CONTAINING NAPHTHOQUINONE COMPOUND<br/>[FR] AGENT ANTICANCEREUX CONTENANT UN COMPOSE NAPHTOQUINONE
  申请人：KOLON INC

  公开号：WO2001051004A2

  公开（公告）日：2001-07-19

  The present invention provides an anti-cancer drug containing naphthoquinone compound, and more particularly, to an anti-cancer drug containing naphthoquinone compounds of formula (1) and formula (2). The anti-cancer drug of the present invention has low toxicity and excellent anti-cancer activity. In formula (1) R1 and R5 are same or different and are each selected from the group consisting of hydrogen; hydroxy; alkoxy having from 1 to 10 carbons; alkyl having from 1 to 10 carbons; ester having from 1 to 10 carbons; and alkene having from 1 to 10 carbons. In formula (2) R1 and R2 are same or different and are each selected from the group consisting of hydrogen; hydroxy; primary amine; secondary amine; tertiary amine; carboxylic acid; alkoxy having from 1 to 10 carbons; alkyl having from 1 to 10 carbons; ester having from 1 to 10 carbons; and alkene having from 1 to 10 carbons; and R3 et R5 are same or different and are each selected from the group consisting of hydrogen; hydroxy; alkoxy having from 1 to 10 carbons; alkyl having from 1 to 10 carbons; ester having from 1 to 10 carbons; and alkene having from 1 to 10 carbons.
• Best, Wayne M.; Wege, Dieter, Australian Journal of Chemistry, 1986, vol. 39, # 4, p. 647 - 666
  作者：Best, Wayne M.、Wege, Dieter

  DOI：——

  日期：——