9,10-dihydro-9,9,10-trimethyl-anthracene | 14923-29-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 9,10-dihydro-9,9,10-trimethyl-anthracene
• 英文别名: 9,10-dihydro-9,9,10-trimethylanthracene；9,9,10-trimethyl-9,10-dihydroanthracene；9,10-Dihydro-9,9,10-trimethyl-anthracen；9,9,10-Trimethyl-9,10-dihydro-anthracen；9,9,10-Trimethyl-9,10-dihydroanthracen；Anthracene, 9,10-dihydro-9,9,10-trimethyl-；9,10,10-trimethyl-9H-anthracene
• CAS: 14923-29-6
• 化学式: C₁₇H₁₈
• 分子量: 222.33
• InChiKey: ARQZXHSZLQPAON-UHFFFAOYSA-N

物化性质

• 沸点：
  314.8±22.0 °C(Predicted)
• 密度：
  0.990±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  cesium bis(trimethylsilyl)amide 、 9,10-dihydro-9,9,10-trimethyl-anthracene 以 四氢呋喃 为溶剂， 生成 9,9,10-Trimethyl-9,10-dihydro-anthracenyl-(9)-caesium 、 六甲基二硅氮烷
  参考文献：
  名称：

  Ion Pair pKs of Some Amines: Extension of the Computed Lithium pK Scale

  摘要：

  The pK of p-(methylamino)biphenyl, 1, on our Li scale, pK(Li) = 22.09, compared to the cesium scale, pK(Cs) = 28.60. For hexamethyldisilazane, HMDS, pK(Li) = 23.05, pK(Cs) = 29.26. These results are those for the monomers in THF; corrections were made for dimers present in some cases. The pK(Li) of these two amines fit well the previously found correlation with Hartree-Fock calculations at 6-31+g(d) using RLi coordinated with three dirnethyl ethers as a computational model for RLi in THF. The results are also compared with earlier pK(Li)s reported from equilibria with lithium amides in which aggregation was not considered.

  DOI：

  10.1021/jo202253q
• 作为产物：
  描述：

  10,10-二甲基蒽酮 生成 9,10-dihydro-9,9,10-trimethyl-anthracene
  参考文献：
  名称：

  9,10-二氢蒽及其9,10-甲基化衍生物构象的溶液和固体碳13磁共振研究

  摘要：

  9,10-甲基化 9,10-二氢蒽的 /sup 13/C NMR 化学位移已经通过使用交叉极化和魔角旋转技术以传统方式在溶液中和固态中获得。此外，溶液化学位移的温度依赖性从大约-70 到 40/sup 0/C 测量。讨论了由甲基取代引起的化学位移效应。对表现出不等加权构象平均的三种化合物的可变温度甲基位移进行非线性最小二乘回归分析，并给出了相关的热力学和化学位移参数。当存在孪生甲基时，固体和溶液光谱都表明环变平。此外，

  DOI：

  10.1021/ja00406a025

文献信息

• The oxidation of organic compounds by “singlet” oxygen
  作者：E. McKeown、William A. Waters

  DOI：10.1039/j29660001040

  日期：——

  The normal or “triplet” ground state (3Σg–) of molecular oxygen is that of a biradical, ·O–O·, but “singlet” oxygen (1Δg) OO, which is structurally similar to ethylene, is the initial product of heterolytic decompositions of hydrogen peroxide or of per-acids. “Singlet” oxygen reverts to normal “triplet” oxygen by a bimolecular reaction that produces chemiluminescence but is sufficiently long-lived

  正常或“三联体”基态（3 Σ克- ）分子氧的是一个双自由基的，·O-O·，但“单峰”氧（1 Δ克）O O，其在结构上类似于乙烯，是过氧化氢或过酸的杂化分解的初始产物。“单重态”氧通过双分子反应恢复为正常的“三重态”氧，该化学反应产生化学发光，但寿命足够长，可以作为双烯亲体反应。它在其内消旋位置与蒽环碳氢化合物结合，或添加到合适的1,3-二烯中。
• Haefelinger,G.; Streitwieser,A., Chemische Berichte, 1968, vol. 101, p. 657 - 671
  作者：Haefelinger,G.、Streitwieser,A.

  DOI：——

  日期：——
• Metal-ammonia reduction. VI. Stereospecific alkylation of the 9-alkyl-9,10-dihydro-10-anthryl carbanion
  作者：Ronald G. Harvey、Charles C. Davis

  DOI：10.1021/jo01263a084

  日期：1969.11
• USAMI SHIRO; HASEGAWA KIYOSHI; KATO TSUTOMU; NAKAMURA SHINICHI; TSUKASHIM+, J. FUEL SOC. JAP., 65,(1986) N 12, 996-1003
  作者：USAMI SHIRO、 HASEGAWA KIYOSHI、 KATO TSUTOMU、 NAKAMURA SHINICHI、 TSUKASHIM+

  DOI：——

  日期：——
• Ion Pair p<i>K</i>s of Some Amines: Extension of the Computed Lithium p<i>K</i> Scale
  作者：Andrew Streitwieser、Antonio Facchetti、Linfeng Xie、Xingyue Zhang、Eric C. Wu

  DOI：10.1021/jo202253q

  日期：2012.1.20

  The pK of p-(methylamino)biphenyl, 1, on our Li scale, pK(Li) = 22.09, compared to the cesium scale, pK(Cs) = 28.60. For hexamethyldisilazane, HMDS, pK(Li) = 23.05, pK(Cs) = 29.26. These results are those for the monomers in THF; corrections were made for dimers present in some cases. The pK(Li) of these two amines fit well the previously found correlation with Hartree-Fock calculations at 6-31+g(d) using RLi coordinated with three dirnethyl ethers as a computational model for RLi in THF. The results are also compared with earlier pK(Li)s reported from equilibria with lithium amides in which aggregation was not considered.