1,8-Dihydroxy-3-methoxycarbonylmethyl-2-(3-oxopentyl)-9,10-anthraquinone | 74188-46-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1,8-Dihydroxy-3-methoxycarbonylmethyl-2-(3-oxopentyl)-9,10-anthraquinone
• 英文别名: methyl 3,5-dihydroxy-5,10-dioxo-3-(3-oxopentyl)-5,10-dihydroanthr-2-ylacetate；4,5-Dihydroxy-9,10-dioxo-3-(3-oxopentyl)anthracene-2-acetic Acid, Methyl Ester；Methyl 2-[4,5-dihydroxy-9,10-dioxo-3-(3-oxopentyl)anthracen-2-yl]acetate
• CAS: 74188-46-8
• 化学式: C₂₂H₂₀O₇
• 分子量: 396.397
• InChiKey: DHGYRADQYWIUPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1,8-Dihydroxy-3-methoxycarbonylmethyl-2-(3-oxopentyl)-9,10-anthraquinone 在 偶氮二异丁腈 、 溴 、 苄基三甲基氢氧化铵 作用下， 以 甲醇 、 四氯化碳 为溶剂， 反应 5.0h， 生成 (1S,2S,4R)-2-Ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-naphthacene-1-carboxylic acid methyl ester
  参考文献：
  名称：

  Syntheses of (±)-aklavinones

  摘要：

  DOI：

  10.1016/s0040-4020(01)91535-2
• 作为产物：
  描述：

  9,10-Dihydro-4-hydroxy-5-methoxy-9,10-dioxo-3-(3-oxopentyl)-2-anthracenessigsaeure-methylester 在 三氯化铝 作用下， 以91%的产率得到1,8-Dihydroxy-3-methoxycarbonylmethyl-2-(3-oxopentyl)-9,10-anthraquinone
  参考文献：
  名称：

  Syntheses of (±)-aklavinones

  摘要：

  DOI：

  10.1016/s0040-4020(01)91535-2

文献信息

• Processes and host cells for genome, pathway, and biomolecular engineering
  申请人：enEvolv, Inc.

  公开号：US10370654B2

  公开（公告）日：2019-08-06

  The present disclosure provides compositions and methods for genomic engineering.

  本公开提供了基因组工程的组合物和方法。
• Synthesis of 1,5- and 1,8-dihydroxyanthraquinones from a common intermediate. A direct synthesis of racemic 7-deoxyaklavinone
  作者：George A. Kraus、Li Chen

  DOI：10.1021/jo00017a020

  日期：1991.8

  When quinone 6 was treated with diene 7 followed by oxidation, a 1,5-dihydroxyanthraquinone was obtained. When quinone 6 was subjected to a palladium-mediated aromatization, the resulting 5-hydroxy-1,4-naphthoquinone reacted with diene 7 followed by oxidation to produce a 1,8-dihydroxyanthraquinone, a key intermediate in a direct synthesis of 7-deoxyaklavinone, a known synthetic precursor of aklavinone.
• MARUYAMA, KADZUXIRO;NARITA, JOSITOKU;UNO, XIDEHMITSU
  作者：MARUYAMA, KADZUXIRO、NARITA, JOSITOKU、UNO, XIDEHMITSU

  DOI：——

  日期：——
• Jizba, Josef V.; Sedmera, Petr; Vokoun, Jindrich, Collection of Czechoslovak Chemical Communications, 1981, vol. 46, # 9, p. 2129 - 2135
  作者：Jizba, Josef V.、Sedmera, Petr、Vokoun, Jindrich、Blumauerova, Margita、Vanek, Zdenko

  DOI：——

  日期：——
• PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING
  申请人：ENEVOLV, INC.

  公开号：US20160186168A1

  公开（公告）日：2016-06-30

  The present disclosure provides compositions and methods for genomic engineering.