Phenyl-thiobis(6-t-butyl-4-methyl-o-phenylen)phosphit | 30008-05-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: Phenyl-thiobis(6-t-butyl-4-methyl-o-phenylen)phosphit
• 英文别名: 1,9-Ditert-butyl-3,7-dimethyl-11-phenoxybenzo[d][1,3,6,2]benzodioxathiaphosphocine
• CAS: 30008-05-0
• 化学式: C₂₈H₃₃O₃PS
• 分子量: 480.608
• InChiKey: LKISTVMEWUNEPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  53
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Phenyl-thiobis(6-t-butyl-4-methyl-o-phenylen)phosphit 在 水 作用下， 以 丙酮 为溶剂， 反应 0.17h， 生成 2-(tert-butyl)-6-((3-(tert-butyl)-2-hydroxy-5-methylphenyl)thio)-4-methylphenyl phenyl phosphonate
  参考文献：
  名称：

  phosphororganische Antioxidantien. XII. Synthesen und NMR-Spektren phosphororganischer Antioxidantien und verwandter Verbindungen

  摘要：

  The syntheses of various aliphatic, aromatic, sterically hindered, and cyclic organophosphorus compounds (phosphorous acid esters, ester chlorides and ester amides, hydrogen phosphites, phosphonates and phosphates) are reported, and general procedures for preparation are given.The compounds synthesized were investigated by means of P-31-, H-1- and C-13-n.m.r. spectroscopy, and the chemical shifts measured are listed.

  DOI：

  10.1002/prac.19923340407
• 作为产物：
  描述：

  苯氧基亚磷酰二氯 、 抗氧剂 LK-1081 在 三乙胺 作用下， 以 正己烷 为溶剂， 生成 Phenyl-thiobis(6-t-butyl-4-methyl-o-phenylen)phosphit
  参考文献：
  名称：

  phosphororganische Antioxidantien. XII. Synthesen und NMR-Spektren phosphororganischer Antioxidantien und verwandter Verbindungen

  摘要：

  The syntheses of various aliphatic, aromatic, sterically hindered, and cyclic organophosphorus compounds (phosphorous acid esters, ester chlorides and ester amides, hydrogen phosphites, phosphonates and phosphates) are reported, and general procedures for preparation are given.The compounds synthesized were investigated by means of P-31-, H-1- and C-13-n.m.r. spectroscopy, and the chemical shifts measured are listed.

  DOI：

  10.1002/prac.19923340407

文献信息

• phosphororganische Antioxidantien. XII. Synthesen und NMR-Spektren phosphororganischer Antioxidantien und verwandter Verbindungen
  作者：T. K�nig、W. D. Habicher、U. H�hner、J. Pionteck、C. R�ger、K. Schwetlick

  DOI：10.1002/prac.19923340407

  日期：——

  The syntheses of various aliphatic, aromatic, sterically hindered, and cyclic organophosphorus compounds (phosphorous acid esters, ester chlorides and ester amides, hydrogen phosphites, phosphonates and phosphates) are reported, and general procedures for preparation are given.The compounds synthesized were investigated by means of P-31-, H-1- and C-13-n.m.r. spectroscopy, and the chemical shifts measured are listed.