butyric O-ethyl-carbonic anhydride | 62763-37-5

• 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: butyric O-ethyl-carbonic anhydride
• 英文别名: Ethoxycarbonyl butanoate
• CAS: 62763-37-5
• 化学式: C₇H₁₂O₄
• 分子量: 160.17
• InChiKey: XJDFEHQFPQRNRJ-UHFFFAOYSA-N

物化性质

• 沸点：
  190.7±23.0 °C(Predicted)
• 密度：
  1.060±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  醋酸叔丁酯 、 butyric O-ethyl-carbonic anhydride 生成 3-氧代己酸叔丁酯
  参考文献：
  名称：

  Acylation des enolates lithiens d'esters ou de cetones au moyen d'anhydrides mixtes carboxyliques et carboniques: preparation de β-cetoesters et de β-dicetones

  摘要：

  DOI：

  10.1016/s0022-328x(00)98078-1
• 作为产物：
  描述：

  sodium butyrate 、 氯甲酸乙酯 在 对甲苯磺酸 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 butyric O-ethyl-carbonic anhydride
  参考文献：
  名称：

  Moore; Eisenberg; Weber, Journal of the American Chemical Society, 1995, vol. 117, # 45, p. 11285 - 11291

  摘要：

  DOI：

文献信息

• Batrachotoxin Analogues, Compositions, Uses, and Preparation Thereof
  申请人：Du Bois Justin

  公开号：US20140171410A1

  公开（公告）日：2014-06-19

  Compounds relating to batrachotoxin are provided, in particular analogues that modulate the activity of sodium channels. Also provided are pharmaceutical compositions comprising compounds of the invention and a pharmaceutically acceptable carrier, including vehicles that modulate transdermal permeation of the compound. The subject compounds are useful in treatments, including treatments to reduce neuronal activity or to bring about muscular relaxation. The compounds also find use in the treatment of subjects suffering from a voltage-gated sodium channel-enhanced ailment or from pain. Further methods are provided for the preparation of the batrachotoxin-related compounds.

  提供了与蝙蝠毒素相关的化合物，特别是能够调节钠通道活性的类似物。还提供了包含本发明化合物的药物组合物以及药用辅料，包括能够调节化合物经皮渗透的载体。所述化合物可用于治疗，包括用于减少神经活动或引起肌肉松弛的治疗。这些化合物还用于治疗患有电压门控钠通道增强病症或疼痛的患者。还提供了用于制备与蝙蝠毒素相关化合物的方法。
• Un anion β-acyle masque dans les reactions d'acylation: Le derive lithie du dioxolanne du levulate de trimethylsilyle
  作者：Jean-Louis Moreau、René Couffignal

  DOI：10.1016/0022-328x(85)87462-3

  日期：1985.10

  An organolithium reagent derived from trimethylsilyl-4,4-ethylenedioxypentanoate reacts with mixed carboxylic-carbonic anhydrides as a homoenolate anion equivalent. Several monoethylene acetals of 1,4-diketones and the corresponding diketones are synthesized by this way.

  衍生自-4,4-亚乙基二氧戊酸三甲基甲硅烷基酯的有机锂试剂与混合的羧酸碳酸酐作为均烯酸酯阴离子当量反应。通过这种方式合成了几种1，4-二酮的单乙缩醛和相应的二酮。
• Decomposition of Mixed Carboxylic-Carbonic Anhydrides^1a
  作者：THOMAS B. WINDHOLZ

  DOI：10.1021/jo01080a004

  日期：1960.10
• In-vitro transdermal penetration of cytarabine and its N4-alkylamide derivatives
  作者：Lesetja J. Legoabe、Jaco C. Breytenbach、David D. N'Da、J. Wilma Breytenbach

  DOI：10.1211/jpp.62.06.0012

  日期：2010.6

  Objectives The aim of this study was to synthesise and determine the transdermal penetration of cytarabine alkylamide derivatives and assess the correlation of flux with physicochemical properties.Methods The alkylamide derivatives of cytarabine were synthesised by acylation at the N4-amino group by the mixed anhydride method. The in-vitro permeation studies were performed using the Franz diffusion cell methodology. Furthermore, partition coefficients (n-octanol-water) and aqueous solubility of the N4-alkylamide derivatives of cytarabine were determined in order to obtain information about their lipophilicity and hydrophilicity.Key findings The N4-alkylamides of cytarabine (acetyl, butanoyl, hexanoyl, octanoyl, and decanoyl derivatives) showed decreased hydrophilicity and increased lipophilicity. The log D values of the alkylamides were higher than that of the parent compound and increased linearly as the alkyl chain lengthened. N4-hexanoyl-4-amino-1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] pyrimidin-2-one) showed the highest median steady-state flux (J(ss)) of 89.0 nmol/cm(2) per h in the series, which shows a high statistical difference with the parent compound flux value (3.70 nmol/cm(2) per h).Conclusions The prodrug approach appears to be a promising strategy for the enhancement of transdermal penetration of cytarabine.
• Synthesis of<i>N</i>,<i>N</i>-Dialkyl-3-oxoalkanamides
  作者：Claude Goasdoue、René Couffignal

  DOI：10.1055/s-1979-28886

  日期：——