n-octylisopropyl carbonate | 1680-32-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: n-octylisopropyl carbonate
• 英文别名: Isopropyl-octyl-carbonat；Octyl propan-2-yl carbonate；octyl propan-2-yl carbonate
• CAS: 1680-32-6
• 化学式: C₁₂H₂₄O₃
• 分子量: 216.321
• InChiKey: GXPAJEVWRLBRHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  15
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  n-octylisopropyl carbonate 在 三氯化铝 作用下， 以 硝基甲烷 为溶剂， 反应 3.0h， 以90%的产率得到辛醇
  参考文献：
  名称：

  氯化铝对异丙酯、氨基甲酸酯和碳酸酯的选择性脱保护

  摘要：

  异丙酯、氨基甲酸酯和碳酸酯的 O-异丙基键可在 0-50 °C、硝基甲烷中用 AlCl3 有效地选择性裂解，分别得到羧酸、胺和醇，收率从良好到极佳。

  DOI：

  10.1055/s-2001-17466
• 作为产物：
  描述：

  辛烯 、 Propan-2-yloxy propan-2-ylperoxycarbonyl carbonate 在 乙酰氯 作用下， 生成 n-octylisopropyl carbonate
  参考文献：
  名称：

  349.自由基加成的综合方面。第二部分 通过乙酸和相关化合物的均相烷基化制备同系物

  摘要：

  DOI：

  10.1039/jr9650001918

文献信息

• Mild and efficient capture and functionalisation of CO2 using silver(i) oxide and application to 13C-labelled dialkyl carbonates
  作者：Gemma A. Tunbridge、Riccardo Baruchello、Lorenzo Caggiano

  DOI：10.1039/c3ra23281f

  日期：——

  A high yielding three-component reaction between β-iodo ethylamine derivatives, MeOH and gaseous CO2 at ambient temperatures and pressures is reported using silver(I) oxide. Unfunctionalised alkyl iodides were also found to be effective in this transformation and their optimisation is also described. To highlight the ease and control with which gaseous CO2 can be captured and functionalised under mild conditions, the reaction was performed using 13C-enriched CO2 to afford specifically 13C-carbonyl-labelled dialkyl carbonates with exquisite control of the isotopic purity in good yields and without the need for specialised equipment.

  报道了一种高产率的三组分反应，涉及β-碘乙胺衍生物、甲醇和在常温常压下的气态二氧化碳，使用氧化银（I）作为催化剂。未官能化的烷基碘化物也被发现在此转化中有效，并且也描述了它们的优化。为了突出在温和条件下捕获和官能化气态二氧化碳的简便性和控制性，该反应采用13C标记的二氧化碳进行，从而在无需特殊设备的情况下，以良好产率和精细控制的同位素纯度得到特异的13C-羰基标记的二烷基碳酸酯。
• Vinyl carbonates as novel alkoxycarbonylation reagents in enzymatic synthesis of carbonates.
  作者：Marcos Pozo、Rosalino Pulido、Vicente Gotor

  DOI：10.1016/s0040-4020(01)88237-5

  日期：1992.1

  Carbonates could be obtained by enzymatic alkoxycarbonylation from vinyl carbonates, which are easily prepared from vinyl chloroformate. The reaction was catalyzed by Candida antarctica lipases, SP 435 and SP 435 A. The method could be also used for the synthesis of carbamates. When racemic alcohols were used, lipase catalyzed their resolution, and chiral carbonates were obtained with different enantiomeric excesses depending upon the structure of the alcohol.
• 349. Synthetic aspects of free-radical addition. Part II. Preparation of homologues by homolytic alkylation of acetic acid and related compounds
  作者：J. C. Allen、J. I. G. Cadogan、D. H. Hey

  DOI：10.1039/jr9650001918

  日期：——
• Selective Deprotection of Isopropyl Esters, Carbamates and Carbonates with Aluminum Chloride
  作者：Gaik-Lean Chee

  DOI：10.1055/s-2001-17466

  日期：——

  The O-isopropyl bond of isopropyl esters, carbamates, and carbonates has been effectively and selectively cleaved by treatment with AlCl3 in nitromethane at 0-50 °C to give carboxylic acids, amines, and alcohols, respectively, in good to excellent yields.

  异丙酯、氨基甲酸酯和碳酸酯的 O-异丙基键可在 0-50 °C、硝基甲烷中用 AlCl3 有效地选择性裂解，分别得到羧酸、胺和醇，收率从良好到极佳。