2,2,7,8,2',2',7',8'-octamethyl-5,5'-methanediyl-bis-chroman-6-ol | 6133-19-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2,2,7,8,2',2',7',8'-octamethyl-5,5'-methanediyl-bis-chroman-6-ol
• 英文别名: 5-[(6-Hydroxy-2,2,7,8-tetramethyl-3,4-dihydrochromen-5-yl)methyl]-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol
• CAS: 6133-19-3
• 化学式: C₂₇H₃₆O₄
• 分子量: 424.58
• InChiKey: DHCPYDCKEOPRFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2,7,8,2',2',7',8'-octamethyl-5,5'-methanediyl-bis-chroman-6-ol 在 溴 作用下， 以 甲苯 、 正己烷 为溶剂， 以27%的产率得到5-bromo-3,4-dihydro-2,2,7,8-tetramethyl-2H-1-benzopyran-6-ol
  参考文献：
  名称：

  Bromination of α-tocopherol methano-dimer and ethano-dimer

  摘要：

  Bromination of the ethano-dimer of alpha-tocopherol (6) afforded pyrano-spirodimer of alpha-tocopherol (7) quantitatively, while the methano-dimer of alpha-tocopherol (10) produced a mixture of products, including the furano-spirodimer 11, pyrano-spirodimer 7, and 5-bromo-gamma-tocopherol (12), the latter two formed in ail unusual dealkylative fragmentation step. The mechanisms were studied by a combination of trapping reactions as well as kinetic and computational studies. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.11.050
• 作为产物：
  描述：

  5-(Chloromethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol 以35%的产率得到
  参考文献：
  名称：

  MURASE KIYOSHI; MATSUMOTO JUN; TAMAZAWA KAZUHARU; TAKAHASHI KOZO; MURAKAM+, YAMANOUTI SEHJYAKU KEHNKYU XOKOKU, RERT YAMANOUCHI CENT. RES. LAV., 1974,+

  摘要：

  DOI：

文献信息

• Bromination of α-tocopherol methano-dimer and ethano-dimer
  作者：Thomas Rosenau、Christian Adelwöhrer、Elisabeth Kloser、Kurt Mereiter、Thomas Netscher

  DOI：10.1016/j.tet.2005.11.050

  日期：2006.2

  Bromination of the ethano-dimer of alpha-tocopherol (6) afforded pyrano-spirodimer of alpha-tocopherol (7) quantitatively, while the methano-dimer of alpha-tocopherol (10) produced a mixture of products, including the furano-spirodimer 11, pyrano-spirodimer 7, and 5-bromo-gamma-tocopherol (12), the latter two formed in ail unusual dealkylative fragmentation step. The mechanisms were studied by a combination of trapping reactions as well as kinetic and computational studies. (c) 2005 Elsevier Ltd. All rights reserved.
• MURASE KIYOSHI; MATSUMOTO JUN; TAMAZAWA KAZUHARU; TAKAHASHI KOZO; MURAKAM+, YAMANOUTI SEHJYAKU KEHNKYU XOKOKU, RERT YAMANOUCHI CENT. RES. LAV., 1974,+
  作者：MURASE KIYOSHI、 MATSUMOTO JUN、 TAMAZAWA KAZUHARU、 TAKAHASHI KOZO、 MURAKAM+

  DOI：——

  日期：——