(R)-1-(2-pivaloylpterin-6-yl)-4-(benzyloxy)but-1-yn-3-ol | 131864-05-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: (R)-1-(2-pivaloylpterin-6-yl)-4-(benzyloxy)but-1-yn-3-ol
• 英文别名: Bvogwzatykgafw-mrxnpfedsa-；N-[6-[(3R)-3-hydroxy-4-phenylmethoxybut-1-ynyl]-4-oxo-3H-pteridin-2-yl]-2,2-dimethylpropanamide
• CAS: 131864-05-6
• 化学式: C₂₂H₂₃N₅O₄
• 分子量: 421.456
• InChiKey: BVOGWZATYKGAFW-MRXNPFEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  126
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (R)-1-(2-pivaloylpterin-6-yl)-4-(benzyloxy)but-1-yn-3-ol 在 chromium(VI) oxide 、 硫酸 作用下， 以 丁酮 为溶剂， 反应 0.5h， 生成 1-(2-pivaloylpterin-6-yl)-4-(benzyloxy)but-1-yn-3-one
  参考文献：
  名称：

  Model studies directed toward the molybdenum cofactor: 2-alkylidene- and 2-(phenylimino)-1,3-dithioles from acetylenes

  摘要：

  The cycloaddition of activated alkynes, among them 6-alkynylpterins, with the tributylphosphine-carbon disulfide complex followed by a Wittig reaction of the resulting ylid with carbonyl compounds or nitrosobenzene affords novel 2-alkylidene- or 2-(phenylimino)-1,3-dithioles in moderate to very good yields. The pterin-substituted species are potential intermediates in the synthesis of the molybdenum cofactor.

  DOI：

  10.1021/jo00005a029
• 作为产物：
  描述：

  2-pivaloyl-6-chloropterin 在 palladium diacetate 、 copper(l) iodide 、 四丁基氟化铵 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 1.5h， 生成 (R)-1-(2-pivaloylpterin-6-yl)-4-(benzyloxy)but-1-yn-3-ol
  参考文献：
  名称：

  Model studies directed toward the molybdenum cofactor: 2-alkylidene- and 2-(phenylimino)-1,3-dithioles from acetylenes

  摘要：

  The cycloaddition of activated alkynes, among them 6-alkynylpterins, with the tributylphosphine-carbon disulfide complex followed by a Wittig reaction of the resulting ylid with carbonyl compounds or nitrosobenzene affords novel 2-alkylidene- or 2-(phenylimino)-1,3-dithioles in moderate to very good yields. The pterin-substituted species are potential intermediates in the synthesis of the molybdenum cofactor.

  DOI：

  10.1021/jo00005a029

文献信息

• TAYLOR, EDWARD C.;DOTZER, REINHARD, J. ORG. CHEM., 56,(1991) N, C. 1816-1822
  作者：TAYLOR, EDWARD C.、DOTZER, REINHARD

  DOI：——

  日期：——
• Model studies directed toward the molybdenum cofactor: 2-alkylidene- and 2-(phenylimino)-1,3-dithioles from acetylenes
  作者：Edward C. Taylor、Reinhard Doetzer

  DOI：10.1021/jo00005a029

  日期：1991.3

  The cycloaddition of activated alkynes, among them 6-alkynylpterins, with the tributylphosphine-carbon disulfide complex followed by a Wittig reaction of the resulting ylid with carbonyl compounds or nitrosobenzene affords novel 2-alkylidene- or 2-(phenylimino)-1,3-dithioles in moderate to very good yields. The pterin-substituted species are potential intermediates in the synthesis of the molybdenum cofactor.