1,2,3,4,5,8-hexahydro-1-oxo-6-methoxynaphthalene | 2844-80-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,2,3,4,5,8-hexahydro-1-oxo-6-methoxynaphthalene
• 英文别名: 6-methoxy-1,2,3,4,5,8-hexahydro-naphthalen-1-one；6-methoxy-3,4,5,8-tetrahydro-2H-naphthalen-1-one；1,2,3,4,5,8-hexahydro-6-methoxynaphthalen-1-one；3,4,5,8-Tetrahydro-6-methoxy-1(2H)-naphthalinon；6-methoxy-3,4,5,8-tetrahydro-2H-naphthalen-1-one；6-Methoxy-3,4,5,8-tetrahydro-2H-naphthalin-1-on
• CAS: 2844-80-6
• 化学式: C₁₁H₁₄O₂
• 分子量: 178.231
• InChiKey: MQSBXCLEGDHMFL-UHFFFAOYSA-N

物化性质

• 熔点：
  46-48 °C
• 沸点：
  130 °C(Press: 1 Torr)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,2,3,4,5,8-hexahydro-1-oxo-6-methoxynaphthalene 在 copper(l) iodide 盐酸 、 氢氧化钾 、 四丁基氟化铵 、 sodium acetate 、 乙酸酐 、 sodium hydride 、 二异丁基氢化铝 、 二甲基亚砜 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 40.25h， 生成 苍术酮
  参考文献：
  名称：

  Dimerization of Butenolide Structures. A Biomimetic Approach to the Dimeric Sesquiterpene Lactones (±)-Biatractylolide and (±)-Biepiasterolide

  摘要：

  The biomimetic synthesis of the bisesquiterpene lactones (+/-)-biatractylolide 1 and (+/-)-biepiasterolide 2 via dimerization of the captodative stabilized radical 8 is reported. Atractylon 7 has also been shown to be a possible intermediate during the biosynthesis of biatractylolide 1, biepiasterolide 2, atractylolide 3, and hydroxyatractylolide 4.

  DOI：

  10.1021/jo0488053
• 作为产物：
  描述：

  6-甲氧基-1-萘满酮 在 氨 、 sodium 、 aluminum isopropoxide 作用下， 生成 1,2,3,4,5,8-hexahydro-1-oxo-6-methoxynaphthalene
  参考文献：
  名称：

  Ingenane synthetic studies. An expedient approach to highly oxygenated ABC subunits of ingenol via reductive dialkylative annulation and .alpha.,.beta.-epoxy ketone photoisomerization

  摘要：

  DOI：

  10.1021/ja00317a043

文献信息

• Fused polycyclic heterocycle derivatives
  申请人：Eisai Co., Ltd.

  公开号：US05952335A1

  公开（公告）日：1999-09-14

  Novel fused polycyclic heterocycle derivatives having excellent antitumor effects and a process for producing the same. A compound represented by the following general formula (I) or pharmacologically acceptable salts thereof: ##STR1## wherein the ring A represents an optionally substituted monocyclic aromatic ring or a dicyclic fused ring in which at least one of the rings is an aromatic ring; the ring B represents pyrrole, 4H-1,4-oxazine, 4H-1,4-thiazine or 4(1H)-pyridone; the ring C represents an optionally substituted, monocyclic or dicyclic fused aromatic ring; and Y represents a group represented by the formula --e--f (wherein e represents a lower alkylene; and f represents amidino, guanidino or amino optionally substituted by optionally hydroxylated or optionally lower-alkylaminated lower alkyl; provided that the cases where the rings A and B are both optionally substituted monocyclic aromatic rings are excluded. Which has an excellent antitumor activity.

  具有出色抗肿瘤效果的新型融合多环杂环衍生物及其制备方法。由以下通用式(I)表示的化合物或其药理学上可接受的盐：##STR1## 其中，环A代表可选择地取代的单环芳香环或至少一个环为芳香环的双环融合环；环B代表吡咯、4H-1,4-噁嗪、4H-1,4-噻嗪或4(1H)-吡啶酮；环C代表可选择地取代的单环或双环融合芳香环；Y代表由式--e--f表示的基团（其中e代表较低的烷基；f代表由可选择地羟基化或可选择地较低烷基氨基化的氨基、胍基或酰胍基；但排除环A和环B均为可选择地取代的单环芳香环的情况）。具有出色的抗肿瘤活性。
• FUSED POLYCYCLIC HETEROCYCLE DERIVATIVES
  申请人：Eisai Co., Ltd.

  公开号：EP0831094A1

  公开（公告）日：1998-03-25

  Novel fused polycyclic heterocycle derivatives having excellent antitumor effects and a process for producing the same. A compound represented by the following general formula (I) or pharmacologically acceptable salts thereof: wherein the ring A represents an optionally substituted monocyclic aromatic ring or a dicyclic fused ring in which at least one of the rings is an aromatic ring; the ring B represents pyrrole, 4H-1,4-oxazine, 4H-1,4-thiazine or 4(1H)-pyridone; the ring C represents an optionally substituted, monocyclic or dicyclic fused aromatic ring; and Y represents a group represented by the formula -e-f (wherein e represents a lower alkylene; and f represents amidino, guanidino or amino optionally substituted by optionally hydroxylated or optionally lower-alkylaminated lower alkyl;    provided that the cases where the rings A and B are both optionally substituted monocyclic aromatic rings are excluded. Which has an excellent antitumor activity.

  具有优异抗肿瘤效果的新型融合多环杂环衍生物及其生产工艺。 由以下通式(I)代表的化合物或其药理学上可接受的盐： 其中，环 A 代表任选取代的单环芳香环或二环融合环，其中至少有一个环是芳香环； 环 B 代表吡咯、4H-1,4-恶嗪、4H-1,4-噻嗪或 4(1H)-吡啶酮；环 C 代表任选取代的单环或双环融合芳环；以及 Y 代表由式-e-f 所代表的基团（其中 e 代表低级亚烷基；f 代表脒基、胍基或任选被羟基化或任选被低级烷基酰胺化的低级烷基取代的氨基）； 但不包括环 A 和环 B 均为任选取代的单环芳香环的情况。 具有极佳的抗肿瘤活性。
• Weyerstahl, Peter; Marschall, Helga; Schneider, Kathleen, Liebigs Annalen, 1995, # 2, p. 231 - 240
  作者：Weyerstahl, Peter、Marschall, Helga、Schneider, Kathleen

  DOI：——

  日期：——
• Birch et al., Journal of the Chemical Society, 1952, p. 1768,1771
  作者：Birch et al.

  DOI：——

  日期：——
• An Abnormal Dehydrogenation during the Preparation of 1,8-Diphenylnaphthalene¹
  作者：Herbert O. House、Robert W. Bashe

  DOI：10.1021/jo01020a015

  日期：1965.9