2,7-dimethylanthrone | 50259-90-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 2,7-dimethylanthrone
• 英文别名: 2,7-Dimethylanthron；2,7-dimethyl-10H-anthracen-9-one
• CAS: 50259-90-0
• 化学式: C₁₆H₁₄O
• 分子量: 222.287
• InChiKey: JKUUHOJEOCSSSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 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：

  2,7-dimethylanthrone 在 sodium tetrahydroborate 、 溶剂黄146 作用下， 生成 2,7-二甲基蒽
  参考文献：
  名称：

  有效地将蒽酮还原为蒽

  摘要：

  已经开发了将蒽酮还原为蒽的有效且通用的方法。该方法在二甘醇二甲醚/甲醇的混合溶剂系统中使用NaBH 4作为还原剂，从各种蒽类化合物中以基本上定量的产率生产了蒽。

  DOI：

  10.1016/0040-4039(94)88004-2
• 作为产物：
  描述：

  2,7-二甲基蒽醌 生成 2,7-dimethylanthrone
  参考文献：
  名称：

  Conversion of 9,10-anthraquinones to anthracenes

  摘要：

  DOI：

  10.1021/jo00920a007

文献信息

• ¹³C Nuclear Magnetic Resonance Studies of Methylated Anthracenes
  作者：Myron L. Caspar、J. B. Stothers、Nancy K. Wilson

  DOI：10.1139/v75-273

  日期：1975.7.1

  The ¹³C n.m.r. spectra of anthracene and 11 methylated anthracenes have been examined. Analysis of the ¹H spectra allowed unequivocal assignments for most of the protonated carbons by selective proton decoupling. Parameters describing the methyl substituent effects on the aryl carbon shieldings were defined and refined by regression analysis so that the ¹³C shieldings were predicted for 67 independent aryl positions in anthracenes without peri-methyls with a standard deviation of 0.12 p.p.m. Peri methyl-methyl interactions cause considerable deviations from the predicted substituent effects. The relationships of the ¹³C shieldings to charge densities calculated by the CNDO/2 method were briefly examined. Syntheses of 2,7,9-trimethyl-, 1,4,5,8- and 1,4,5,9-tetramethyl-, and 1,4,5,8,9-pentamethylanthracene are described.

  翻译结果： 对蒽和11种甲基化蒽的13C核磁共振光谱进行了研究。通过选择性质子解偶，对大部分质子化碳进行了明确的指认。通过回归分析，定义和完善了描述甲基取代基对芳基碳屏蔽效应的参数，从而预测了不含邻甲基的67个独立芳基位置在13C屏蔽下的标准偏差为0.12ppm。邻甲基-甲基相互作用会导致与预测的取代基效应相当大的偏差。简要研究了13C屏蔽与通过CNDO/2方法计算的电荷密度之间的关系。描述了2,7,9-三甲基、1,4,5,8-四甲基、1,4,5,9-四甲基、1,4,5,8,9-五甲基蒽的合成。
• 9-Anthryloxyaminoalkanes and related compounds, processes for their preparation and pharmaceutical compositions containing them
  申请人：SYNTEX (U.S.A.) INC.

  公开号：EP0132351A2

  公开（公告）日：1985-01-30

  Compounds useful for treating inflammation, pain and swelling, represented by the formula: and the pharmaceutically acceptable acid addition salts thereof, wherein: Y and Z are each independently halo, alkyl or alkoxy; I and m are each independently 0 or an integer of 1-4; b is an integer of 2-12; and X is selected from: in which R1 and R2 are independently H, alcyl or cycloalkyl; R3 is H, alkyl or CH2CH20H; and n is an integer of 3-7.

  用于治疗炎症、疼痛和肿胀的化合物，由式： 及其药学上可接受的酸加成盐，其中 Y 和 Z 各自独立地为卤代、烷基或烷氧基； I 和 m 各自独立地为 0 或 1-4 的整数； b 是 2-12 的整数；以及 X 选自 其中 R1 和 R2 独立地为 H、烷基或环烷基； R3 是 H、烷基或 CH2CH20H；以及 n 是 3-7 的整数。
• Lai, Yee-Hing; Peck, Thian-Guan, Australian Journal of Chemistry, 1992, vol. 45, # 12, p. 2067 - 2071
  作者：Lai, Yee-Hing、Peck, Thian-Guan

  DOI：——

  日期：——
• [EN] SUBSTITUTED PYRIDAZINONE HERBICIDES<br/>[FR] HERBICIDES À BASE DE PYRIDAZINONE SUBSTITUÉE
  申请人：FMC CORP

  公开号：WO2022140309A8

  公开（公告）日：2023-06-22
• ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, ILLUMINATING DEVICE AND CONDENSED POLYCYCLIC HETEROCYCLIC COMPOUND
  申请人：Sugita Shuichi

  公开号：US20120085997A1

  公开（公告）日：2012-04-12

  Disclosed is an organic electroluminescent element which is characterized in that constituent layers including at least a phosphorescent light-emitting layer are provided between a pair of electrodes, and at least one of the constituent layers contains a compound represented by general formula (1). (In the formula, A 1 , A 2 and A 3 each represents a substituent; n1 and n2 each represents an integer of 0-3; X 1 and X 2 each represents an oxygen atom, a sulfur atom, an alkylene group, an imino group, a carbonyl group, a sulfoxide group or a sulfonyl group, or alternatively X 2 represents a bonding hand; and Z 1 , Z 2 , Z 3 and Z 4 each represents an optionally substituted aromatic heterocyclic ring or an aromatic hydrocarbon ring, provided that all of the Z 1 , Z 2 , Z 3 and Z 4 are not aromatic hydrocarbon rings at the same time.)