O-isopentyl N-benzoylthiocarbamate

• 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: O-isopentyl N-benzoylthiocarbamate
• 英文别名: benzoyl-thiocarbamic acid O-isopentyl ester；N-Benzoyl-monothiocarbamidsaeure-O-isoamylester；Benzoyl-thiocarbamidsaeure-O-isopentylester；O-(3-methylbutyl) N-benzoylcarbamothioate
• 化学式: C₁₃H₁₇NO₂S
• 分子量: 251.349
• InChiKey: QHNMJAVVPKZHJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  70.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  异戊醇 、 苯甲酰基异硫氰酸酯 以 丙酮 为溶剂， 以76%的产率得到O-isopentyl N-benzoylthiocarbamate
  参考文献：
  名称：

  作为多齿体系合成新的酰基，糠酰基和苯甲酰基硫代氨基甲酸酯。异丙基N-（2-呋喃基）硫代氨基甲酸酯的结构研究

  摘要：

  已经进行了新的酰基硫代氨基甲酸酯的合成。为了建立优先构象并从化学上解释其行为，已通过单晶X射线分析确定了异丙基N-（2-呋喃基）硫代氨基甲酸酯3m的结构。通过半经验理论计算，证实了通过X射线分析确定的最稳定构象E，Z '。

  DOI：

  10.1016/j.tet.2005.04.018

文献信息

• Nonparametric Test for Causality with Long-range Dependence
  作者：Javier Hidalgo

  DOI：10.1111/1468-0262.00168

  日期：2000.11

  This paper introduces a nonparametric Granger-causality test for covariance stationary linear processes under, possibly, the presence of long-range dependence. We show that the test is consistent and has power against contiguous alternatives converging to the parametric rate T-1/2. Since the test is based on estimates of the parameters of the representation of a VAR model as a, possibly, two-sided infinite distributed lag model, we first show that a modification of Hannan's (1963, 1967) estimator is root-ir consistent and asymptotically normal for the coefficients of such a representation. When the data are long-range dependent, this method of estimation becomes more attractive than least squares, since the latter can be neither root-ir consistent nor asymptotically normal as is the case with short-range dependent data.
• Synthesis of new acyl, furoyl, and benzoylthiocarbamates as polydentate systems. Structural study of isopropyl N-(2-furoyl)thiocarbamate
  作者：Ana M. Plutín、Margarita Suárez、Estael Ochoa、Teresita Machado、Raúl Mocelo、José M. Concellón、Humberto Rodríguez-Solla

  DOI：10.1016/j.tet.2005.04.018

  日期：2005.6

  Synthesis of new acylthiocarbamates has been carried out. To establish the preferential conformation and to explain the behaviour chemically, the structure of isopropyl N-(2-furoyl)thiocarbamate 3m has been determined by single-crystal X-ray analysis. The most stable conformation E,Z′ established by X-ray analysis was corroborated by semiempirical theoretical calculations.

  已经进行了新的酰基硫代氨基甲酸酯的合成。为了建立优先构象并从化学上解释其行为，已通过单晶X射线分析确定了异丙基N-（2-呋喃基）硫代氨基甲酸酯3m的结构。通过半经验理论计算，证实了通过X射线分析确定的最稳定构象E，Z '。