O-Acetyl-2-methylpentane-2,5-diol | 56856-84-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: O-Acetyl-2-methylpentane-2,5-diol
• 英文别名: 1-acetoxy-4-methyl-4-pentanol；5-Acetoxy-2-methoxy-2-pentanol；(4-hydroxy-4-methylpentyl) acetate
• CAS: 56856-84-9
• 化学式: C₈H₁₆O₃
• 分子量: 160.213
• InChiKey: XZNDCAKOEVDASU-UHFFFAOYSA-N

物化性质

• 沸点：
  87-89 °C(Press: 2 Torr)
• 密度：
  0.991±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  O-Acetyl-2-methylpentane-2,5-diol 在 氢氧化钾 、 manganese(II) sulfate 、 potassium permanganate 、 氯化亚砜 、 adogen 464 、 硫酸 、 三氯化铁 、 溶剂黄146 作用下， 以 乙醚 、 二氯甲烷 、 二乙二醇 为溶剂， 反应 2.16h， 生成 Methyl 4-[4-[9-[4-(5-methoxy-2-methyl-5-oxopentan-2-yl)phenyl]-2,9-dimethyldecan-2-yl]phenyl]-4-methylpentanoate
  参考文献：
  名称：

  Conformational study of the higher [n.n]paracylophanes: evaluation as potential hosts for molecular halogens and benzenes

  摘要：

  A fundamental study of the conformations of [7.7]-, [8.8]-, [9.9]-, [11.11]- and octamethyl[8.8]-paracyclophanes in the solid state shows that the [odd,odd] members of the series possess parallel, symmetrically disposed benzene rings. A new genre of inclusion phenomenon based on donor-halogen EDA interactions is also defined and the potential of cyclophanes to act as hosts both in this capacity and to benzenes is discussed.

  DOI：

  10.1039/p19960001141
• 作为产物：
  描述：

  4-methyl-1,4-pentanediol 、 乙酸酐 在 CoCl₂ 作用下， 以 乙腈 为溶剂， 反应 6.0h， 以78%的产率得到O-Acetyl-2-methylpentane-2,5-diol
  参考文献：
  名称：

  新型酰化催化剂

  摘要：

  氯化钴（II）以优异的产率催化醇和胺与酸酐的酰化反应。

  DOI：

  10.1039/c39870000114

文献信息

• Cobalt(II) chloride catalyzed acylation of alcohols with acetic anhydride: scope and mechanism
  作者：Javed Iqbal、Rajiv Ranjan Srivastava

  DOI：10.1021/jo00033a020

  日期：1992.3

  Cobalt(II) chloride catalyzes the acetylation of a variety of alcohols with acetic anhydride in excellent yield. Primary hydroxyl groups can be selectively acylated in the presence of secondary and tertiary ones while the secondary hydroxyl groups can be preferentially acetylated in the presence of tertiary ones. Tertiary alcohols have been found to give ketones, acetoacetates, olefins, and diketene in addition to the acetate. The beta-hydroxy esters and ketones can be acylated under these conditions without any elimination, and this reaction has been compared with 4-(dimethylamino)pyridine (DMAP)-mediated acylations where elimination of the resulting beta-acetoxy carbonyl compound is observed. A detailed investigation of the acylation of tertiary alcohols has revealed that these reactions proceed via a tertiary alkoxy radical and ketene. A mechanism for these acylations is proposed by invoking an electron-transfer process.
• On the regioselectivity of elimination reactions in terpene derivatives
  作者：B. Badet、M. Julia、J.M. Mallet、C. Schmitz

  DOI：10.1016/s0040-4020(88)90028-2

  日期：1988.1
• Julia, M.; Schmitz, C., Bulletin de la Societe Chimique de France, 1986, # 4, p. 630 - 636
  作者：Julia, M.、Schmitz, C.

  DOI：——

  日期：——
• BADET, B.;JULIA, M.;MALLET, J. M.;SCHMITZ, C., TETRAHEDRON, 44,(1988) N 10, 2913-2924
  作者：BADET, B.、JULIA, M.、MALLET, J. M.、SCHMITZ, C.

  DOI：——

  日期：——
• FUKUNISHI KOUSHI; NAITO IKUO; MASHIO FUJIO, NIXON KAGAKU KAJSI, NIRRON KAGAKU KAISNI, J. CHEM. SOS. JAR., CHEM. AND I+
  作者：FUKUNISHI KOUSHI、 NAITO IKUO、 MASHIO FUJIO

  DOI：——

  日期：——