(1,1-Dimethoxy-2-methyl-propyl)-benzene | 66202-92-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (1,1-Dimethoxy-2-methyl-propyl)-benzene
• 英文别名: (1,1-Dimethoxy-2-methylpropyl)benzene
• CAS: 66202-92-4
• 化学式: C₁₂H₁₈O₂
• 分子量: 194.274
• InChiKey: QRRMOVLKWXXILK-UHFFFAOYSA-N

物化性质

• 沸点：
  83 °C(Press: 0.3 Torr)
• 密度：
  0.960±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (1,1-Dimethoxy-2-methyl-propyl)-benzene 在 吡啶 、 磷酸 、 铜 作用下， 反应 1.0h， 生成 (Z)-2-Methoxy-3,3-dimethyl-2-phenylcyclopropancarbonsaeure-ethylester
  参考文献：
  名称：

  Kunz, Horst; Lindig, Markus, Chemische Berichte, 1983, vol. 116, # 1, p. 220 - 229

  摘要：

  DOI：
• 作为产物：
  描述：

  异丁酰苯 、 原甲酸三甲酯 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 240.0h， 以78%的产率得到(1,1-Dimethoxy-2-methyl-propyl)-benzene
  参考文献：
  名称：

  Kunz, Horst; Lindig, Markus, Chemische Berichte, 1983, vol. 116, # 1, p. 220 - 229

  摘要：

  DOI：

文献信息

• Anodic Cleavage of Several Ketone <i>N</i>-Phenylsemicarbazones into Methyl <i>N</i>-Phenylcarbamate and the Corresponding Dimethyl Acetals
  作者：Shinnosuke Nishikawa、Haruki Yamamori、Kousuke Ohashi、Mitsuhiro Okimoto、Masayuki Hoshi、Takashi Yoshida

  DOI：10.1080/00397911.2012.667184

  日期：2013.7.3

  Abstract Several ketone N-phenylsemicarbazones were electrooxidized in the presence of potassium iodide and a base using methanol as the solvent to give nearly commensurate amounts of methyl N-phenylcarbamate and the corresponding dimethyl acetals. Continuous evolution of gaseous nitrogen was observed from the anolyte during the electrooxidation. The reactions were carried out under very mild reaction

  摘要 在碘化钾和碱的存在下，以甲醇为溶剂，对几种酮 N-苯基氨基甲酸酯进行电氧化，得到几乎等量的 N-苯基氨基甲酸甲酯和相应的二甲基缩醛。在电氧化过程中观察到从阳极电解液中持续释放出气态氮。这些反应是在非常温和的反应条件下进行的，据推测是通过四电子氧化过程进行的，其中碘离子作为电子载体起着重要的作用。图形概要
• Highly Stereoselective Synthesis of <i>cis</i>-2-Substituted-3-vinyltetrahydrofurans from (<i>Z</i>)-Trimethyl(5-trimethylsiloxy-2-pentenyl)silane and Acetals
  作者：Tomohumi Sano、Takeshi Oriyama

  DOI：10.1055/s-1997-3261

  日期：1997.6

  A variety of cis-2-substituted-3-vinyltetrahydrofurans are easily and stereoselectively produced by the reaction of acetals with (Z)-trimethyl(5-trimethylsiloxy-2-pentenyl)silane under the influence of a catalytic amount of trimethylsilyl trifluoromethanesulfonate under very mild conditions.

  在非常温和的条件下，醛与（Z）-三甲基（5-三甲基硅氧基-2-戊烯基）硅烷反应，在催化量的三甲基硅基三氟甲磺酸酯的作用下，可以轻松且选择性地生成多种顺-2-取代-3-乙烯基四氢呋喃。
• Analogs of the dioxolanes dexoxadrol and etoxadrol as potential phencyclidine-like agents. Synthesis and structure activity relationships
  作者：Andrew Thurkauf、Mariena V. Mattson、Scott Richardson、Seid Mirsadeghi、Paul L. Ornstein、Ernest A. Harrison、Kenner C. Rice、Arthur E. Jacobson、James A. Monn

  DOI：10.1021/jm00086a001

  日期：1992.4

  A series of dioxolane analogues based on dexoxadrol ((4S,6S)-2,2-diphenyl-4-(2-piperidyl)-1,3-dioxolane) and etoxadrol ((2S,4S,6S)-2-ethyl-2-phenyl-4-(2-piperidyl)-1,3-dioxolane) were prepared and tested for their ability to displace [H-3]TCP (1-[1-(2-thienyl)cyclohexyl]piperidine) from PCP (1-(1-phenylcyclohexyl)piperidine) binding sites in rat brain tissue homogenates. Qualitative structure-activity relationships within this series were explored through modifications of the three major structural units of dexoxadrol, the piperidine, 1,3-dioxolane, and aromatic rings of the molecule. N-Alkyl derivatives of dexoxadrol were found to be inactive, as were those analogues where the dioxolane ring was modified. Phenyl-substituted etoxadrol analogues were compared to similarly substituted PCP analogues and distinct differences were found in their structure-activity relationships suggesting that the aromatic rings in these two drug classes interact differently with the PCP binding sites. The replacement of the phenyl ring in etoxadrol by either a 2- or 3-thienyl ring led to compounds with affinity comparable to etoxadrol, and the replacement of the ethyl moiety on etoxadrol's dioxolane ring with propyl (7) or isopropyl (8) led to compounds which were more potent than etoxadrol or PCP. The most potent compound was (2S,4S,6S)-2-ethyl-2-(1-chlorophenyl)-4-(2-piperidyl)-1,3-dioxolane (11), where a chlorine moiety was placed in the ortho position in the aromatic ring of etoxadrol. Its potency was comparable with TCP in vitro.
• Birkhofer, Hermann; Beckhaus, Hans-Dieter; Peters, Karl, Chemische Berichte, 1993, vol. 126, # 7, p. 1693 - 1700
  作者：Birkhofer, Hermann、Beckhaus, Hans-Dieter、Peters, Karl、Schnering, Hans-Georg von、Ruechardt, Christoph

  DOI：——

  日期：——
• KUNZ, H.;LINDIG, M., CHEM. BER., 1983, 116, N 1, 220-229
  作者：KUNZ, H.、LINDIG, M.

  DOI：——

  日期：——