tert-butyl (4R)-4-[4-[(2R,3R)-3-[4-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-2-iodophenoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxy-3-iodophenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate | 229154-42-1

• 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: tert-butyl (4R)-4-[4-[(2R,3R)-3-[4-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-2-iodophenoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxy-3-iodophenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• CAS: 229154-42-1
• 化学式: C₅₀H₆₂I₂N₂O₁₀
• 分子量: 1104.86
• InChiKey: WLRBFJHGWZMNJC-XCIZVNRNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  64
• 可旋转键数：
  19
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  tert-butyl (4R)-4-[4-[(2R,3R)-3-[4-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-2-iodophenoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxy-3-iodophenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate 在 bis(triphenylphosphine)nickel(II) chloride 、 正丁基锂 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以50%的产率得到tert-butyl (4R)-4-[(9R,10R)-15-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-9,10-bis(phenylmethoxymethyl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
  参考文献：
  名称：

  An intramolecular, Ni(0)-mediated approach to the nonracemic biaryl portion of vancomycin

  摘要：

  Using a tether derived from tartaric acid to which is attached two halogenated phenylglycine residues, a Ni(0)-induced biaryl coupling can be effected with complete control of axial chirality. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00557-2
• 作为产物：
  描述：

  在 sodium tetrahydroborate 、 四丁基氟化铵 、 lithium perchlorate 、 碳酸氢钠 、 对甲苯磺酸 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 tert-butyl (4R)-4-[4-[(2R,3R)-3-[4-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-2-iodophenoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxy-3-iodophenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
  参考文献：
  名称：

  An intramolecular, Ni(0)-mediated approach to the nonracemic biaryl portion of vancomycin

  摘要：

  Using a tether derived from tartaric acid to which is attached two halogenated phenylglycine residues, a Ni(0)-induced biaryl coupling can be effected with complete control of axial chirality. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00557-2