2-羟基-3-甲氧基环己酮 | 137934-95-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-羟基-3-甲氧基环己酮
• 英文名称: 2-hydroxy-3-methoxycyclohexanone
• 英文别名: 2-Hydroxy-3-methoxycyclohexan-1-one
• CAS: 137934-95-3
• 化学式: C₇H₁₂O₃
• 分子量: 144.17
• InChiKey: QYVCWSOZHXSREF-UHFFFAOYSA-N

物化性质

• 沸点：
  254.4±40.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 2-羟基-3-甲氧基环己酮 在 吡啶 作用下， 生成 Essigsaeure-(6-methoxy-cyclohexan-2-on-1-yl)-ester
  参考文献：
  名称：

  Habermehl, Gerhard G.; Wippermann, Irene, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1991, vol. 46, # 10, p. 1421 - 1424

  摘要：

  DOI：
• 作为产物：
  描述：

  cyclohexenone (S)-amino-2-(methoxymethyl)pyrrolidine 在 selenium(IV) oxide 、 双氧水 作用下， 以 甲醇 为溶剂， 以85%的产率得到2-羟基-3-甲氧基环己酮
  参考文献：
  名称：

  An Efficient Protocol for the Oxidative Hydrolysis of Ketone SAMP Hydrazones Employing SeO2 and H2O2 under Buffered (pH 7) Conditions

  摘要：

  An effective oxidative protocol for the liberation of ketones from SAMP hydrazones employing peroxyselenous acid under aqueous buffered conditions (pH 7) has been developed. The procedure proceeds without epimerization of adjacent stereocenters or dehydration, in representative SAMP alkylation and aldol reaction adducts, respectively.

  DOI：

  10.1055/s-0029-1218352

文献信息

• Regioselective oxidation of azidodiols, bromodiols and triol derivatives by dimethyldioxirane
  作者：Paolo Bovicelli、Danilo Truppa、Anna Sanetti、Roberta Bernini、Paolo Lupattelli

  DOI：10.1016/s0040-4020(98)00885-0

  日期：1998.11

  Azidodiols, bromodiols and triol derivatives were regioselectively monooxidised to the corresponding ketols using dimethyldioxirane. This regioselectivity is essentially determined by dipolar functionalities close to the potential reactive carbinol. These results make the reactivity of polyols with dimethyldioxirane highly predictable. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.
• An Efficient Protocol for the Oxidative Hydrolysis of Ketone SAMP Hydrazones Employing SeO2 and H2O2 under Buffered (pH 7) Conditions
  作者：Amos Smith、Zhuqing Liu、Vladimir Simov

  DOI：10.1055/s-0029-1218352

  日期：2009.12

  An effective oxidative protocol for the liberation of ketones from SAMP hydrazones employing peroxyselenous acid under aqueous buffered conditions (pH 7) has been developed. The procedure proceeds without epimerization of adjacent stereocenters or dehydration, in representative SAMP alkylation and aldol reaction adducts, respectively.
• Habermehl, Gerhard G.; Wippermann, Irene, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1991, vol. 46, # 10, p. 1421 - 1424
  作者：Habermehl, Gerhard G.、Wippermann, Irene

  DOI：——

  日期：——