[1,4]Benzoquinone mono-(O-methyl-oxime) | 15312-05-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [1,4]Benzoquinone mono-(O-methyl-oxime)
• 英文别名: p-benzoquinone monooxime O-methyl ether；1,4-benzoquione 4-(O-methyloxime)；[1,4]benzoquinone-mono-(O-methyl oxime )；[1,4]Benzochinon-mono-(O-methyl-oxim)；Benzochinon-(1.4)-monoxim-methylaether；p-Chinon-monoxim-methylaether；4-Methoxyiminocyclohexa-2,5-dien-1-one
• CAS: 15312-05-7
• 化学式: C₇H₇NO₂
• 分子量: 137.138
• InChiKey: DLXCIGHZFQDMTK-UHFFFAOYSA-N

物化性质

• 熔点：
  95 °C (decomp)
• 沸点：
  199.6±43.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [1,4]Benzoquinone mono-(O-methyl-oxime) 在 氯仿 、 氯 作用下， 生成 5,6-dichloro-cyclohex-2-ene-1,4-dione-mono-(O-methyl oxime )
  参考文献：
  名称：

  Bridge, Justus Liebigs Annalen der Chemie, 1893, vol. 277, p. 83

  摘要：

  DOI：
• 作为产物：
  描述：

  硫酸二甲酯 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydroxide 作用下， 生成 [1,4]Benzoquinone mono-(O-methyl-oxime)
  参考文献：
  名称：

  Veibel; Simesen, Chemische Berichte, 1930, vol. 63, p. 2476,2483

  摘要：

  DOI：

文献信息

• Spectroscopy and photochemistry of a series of alkyl-substituted o- and p-benzoquinones and their mono-oxime O-methyl ethers
  作者：Frank Stunnenberg、Hans Cerfontain、Roel B. Rexwinkel

  DOI：10.1002/recl.19921111005

  日期：——

  Following our previous reports on the spectroscopy and photochemistry of methyl ethers of cyclic α-oxo oximes, we have now studied a number of o- and p-benzoquinone mono-oxime O-methyl ethers and, for comparison, some corresponding o- and p-benzoquinones. The ground-state electronic structure of o-benzoquinones is described satisfactorily by the sum of the two propenal fragments. The structure of the

  继我们先前关于环状α-氧代肟的甲基醚的光谱学和光化学的报道之后，我们现在研究了许多邻-和对-苯醌单肟O-甲基醚，并且为了进行比较，还研究了一些相应的邻-和p -苯醌。邻苯醌的基态电子结构通过两个丙烯醛片段的总和令人满意地描述。相应的（E）-和（Z）-单肟醚的结构可以类似地描述为丙烯和（E）-或（Z）-（甲氧基亚氨基）丙烯片段。当该方法用于构建异构体对苯醌及其单肟醚的基态电子结构时，该方法将失效。
• Photoluminescence Spectra of Zn_1-<i>x</i>Cd_<i>x</i>Al₂Se₄ Single Crystals
  作者：Seung-Cheol Hyun、Chang-Dae Kim、Tae-Young Park、Hyung-Gon Kim、Moon-Seog Jin、Choong-Il Lee、Jae-Mo Goh、Wha-Tek Kim

  DOI：10.1557/jmr.2000.0125

  日期：2000.4

  We investigated the photoluminescence spectra as well as the crystal structure and optical energy gaps of the Zn_1-xCd_xAl₂Se₄ single crystals grown by the chemical transport reaction method. It was shown from the analysis of the observed x-ray diffraction patterns that these crystals have a defect chalcopyrite structure for a whole composition. The lattice constant a increases from 5.5561 A for x = 0.0 (ZnAl₂Se₄) to 5.6361 A for x = 1.0 (CdAl₂Se₄) with increasing x, whereas the lattice constant c decreases from 10.8890 A for x = 0.0 to 10.7194 A for x = 1.0. The optical energy gaps at 13 K were found to range from 3.082 eV (x = 1.0) to 3.525 eV (x = 0.0). The temperature dependence of the optical energy gaps was well fitted with the Varshni equation. We observed two emission bands consisting of a strong blue emission band and a weak broad emission band due to donor–acceptor pair recombination in the Zn_1-xCd_xAl₂Se₄ for 0.0 ⩽ x ⩽ 1.0. These emission bands showed a red shift with increasing x. The energy band scheme for the radiative mechanism of the Zn_1-xCd_xAl₂Se₄ was proposed on the basis of the photoluminescence thermal quenching analysis along with the measurements of photo-induced current transient spectroscopy. The proposed energy band model permits us to assign the observed emission bands.

  我们研究了用化学传输反应法生长的 Zn1-xCdxAl2Se4 单晶的光致发光光谱、晶体结构和光学能隙。对观察到的 X 射线衍射图样的分析表明，这些晶体在整个成分中具有黄铜矿缺陷结构。随着 x 值的增加，晶格常数 a 从 x = 0.0 时的 5.5561 A（ZnAl2Se4）增加到 x = 1.0 时的 5.6361 A（CdAl2Se4），而晶格常数 c 则从 x = 0.0 时的 10.8890 A 减小到 x = 1.0 时的 10.7194 A。13 K 时的光能隙范围为 3.082 eV（x = 1.0）至 3.525 eV（x = 0.0）。光学能隙的温度依赖性与 Varshni 方程十分吻合。在 0.0 ⩽ x ⩽ 1.0 时，我们在 Zn1-xCdxAl2Se4 中观察到两个发射带，其中包括一个强蓝色发射带和一个弱宽发射带，它们是由供体-受体对重组引起的。根据光致发光热淬灭分析和光诱导电流瞬态光谱的测量结果，我们提出了 Zn1-xCdxAl2Se4 辐射机制的能带方案。所提出的能带模型允许我们分配所观察到的发射带。
• v. Pechmann; Seel, Chemische Berichte, 1898, vol. 31, p. 297,298
  作者：v. Pechmann、Seel

  DOI：——

  日期：——
• 183. Reactions of nitrosophenols. Part I. Diazomethane as and agent for detecting nitrosophenolic structure
  作者：Herbert Henry Hodgson

  DOI：10.1039/jr9320001395

  日期：——
• Stereoelectronic control in organic chemistry: addition reactions of some 1,4-benzoquinone 4-(O-methyloximes)
  作者：Jack E. Baldwin、Robert K. Norris

  DOI：10.1021/jo00317a011

  日期：1981.2