3-chlorocarbonyloxy-2,2,4,4-tetramethyl-pentane | 64769-38-6

• 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: 3-chlorocarbonyloxy-2,2,4,4-tetramethyl-pentane
• 英文别名: chlorocarbonic acid-(1-tert-butyl-2,2-dimethyl-propyl ester)；Chlorokohlensaeure-(1-tert-butyl-2,2-dimethyl-propylester)；3-Chlorcarbonyloxy-2,2,4,4-tetramethyl-pentan；2,2,4,4-tetramethylpentan-3-yl carbonochloridate
• CAS: 64769-38-6
• 化学式: C₁₀H₁₉ClO₂
• 分子量: 206.713
• InChiKey: RIVJUSOPYGIOMC-UHFFFAOYSA-N

物化性质

• 沸点：
  45-46 °C(Press: 0.7 Torr)
• 密度：
  0.989±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.82
• 重原子数：
  13.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3-chlorocarbonyloxy-2,2,4,4-tetramethyl-pentane 生成 3-Chlor-2,2,4,4-tetramethyl-pentan
  参考文献：
  名称：

  REACTIONS OF ATOMS AND FREE RADICALS IN SOLUTION. XXXV. MIGRATION OF A METHYL GROUP IN THE REARRANGEMENT OF THE FREE DI-TERT-BUTYLCARBINYL RADICAL. THE REACTION OF DI-TERT-BUTYLCARBINYL CHLORIDE WITH A GRIGNARD REAGENT IN THE PRESENCE OF COBALTOUS BROMIDE

  摘要：

  DOI：

  10.1021/jo01372a022
• 作为产物：
  描述：

  光气 在 吡啶 作用下， 生成 3-chlorocarbonyloxy-2,2,4,4-tetramethyl-pentane
  参考文献：
  名称：

  REACTIONS OF ATOMS AND FREE RADICALS IN SOLUTION. XXXV. MIGRATION OF A METHYL GROUP IN THE REARRANGEMENT OF THE FREE DI-TERT-BUTYLCARBINYL RADICAL. THE REACTION OF DI-TERT-BUTYLCARBINYL CHLORIDE WITH A GRIGNARD REAGENT IN THE PRESENCE OF COBALTOUS BROMIDE

  摘要：

  DOI：

  10.1021/jo01372a022

文献信息

• Design of small molecule ketoamide-based inhibitors of cathepsin K
  作者：John G. Catalano、David N. Deaton、Stacey T. Long、Robert B. McFadyen、Larry R. Miller、J.Alan Payne、Kevin J. Wells-Knecht、Lois L. Wright

  DOI：10.1016/j.bmcl.2003.11.029

  日期：2004.2

  A novel series of ketoamide-based inhibitors of cathepsin K has been identified. Modifications to p(2) and p(3) elements were crucial to enhancing inhibitory activity. Although not optimized, a selected inhibitor was effective in attenuating type 1 collagen hydrolysis in a surrogate assay of bone resorption. (C) 2003 Elsevier Ltd. All rights reserved.
• Kinetic applications of electron paramagnetic resonance spectroscopy. XIII. Di-tert-butylmethyl and related radicals
  作者：G. D. Mendenhall、D. Griller、D. Lindsay、T. T. Tidwell、K. U. Ingold

  DOI：10.1021/ja00815a024

  日期：1974.4