6-(tert-butyl)-4-(7-(tert-butyl)-2,2,2,4-tetramethyl-2l5-benzo[d][1,3,2]dioxastibol-5-yl)-3-methylcyclohexa-3,5-diene-1,2-dione | 1267610-78-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 6-(tert-butyl)-4-(7-(tert-butyl)-2,2,2,4-tetramethyl-2l5-benzo[d][1,3,2]dioxastibol-5-yl)-3-methylcyclohexa-3,5-diene-1,2-dione
• CAS: 1267610-78-5
• 化学式: C₂₅H₃₅O₄Sb
• 分子量: 521.3
• InChiKey: HFIKOIMCDYUBDB-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  6.25
• 重原子数：
  30.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  trimethylantimony(V) bis-catecholate 在 oxygen 作用下， 以 氘代氯仿 为溶剂， 生成 6-(tert-butyl)-4-(7-(tert-butyl)-2,2,2,4-tetramethyl-2l5-benzo[d][1,3,2]dioxastibol-5-yl)-3-methylcyclohexa-3,5-diene-1,2-dione
  参考文献：
  名称：

  The binuclear trimethyl/triethylantimony(V) bis-catecholate derivatives of four-electron reduced 4,4′-di-(3-methyl-6-tert-butyl-o-benzoquinone)

  摘要：

  The reaction of 4,4`-di-(3-methyl-6-tert-butyl-o-benzoquinone) (Q-Q) with trimethyl- or triethylstibine proceeds as a two-electron oxidative addition of each quinone moiety and allows to prepare binuclear bis-catecholates R(3)Sb(Cat-Cat)SbR(3) with a nearly quantitative yield (R = Me, 1; R = Et, 2). The products 1 and 2 were characterized by IR-, (1)H and (13)C NMR spectroscopy. Molecular structure of triethylantimony (V) bis-catecholate 2 was confirmed by single-crystal X-ray analysis. Each Sb(V) atom adopts square pyramidal geometry with Cat moiety in basal positions, dihedral angle between Cat fragments is 74.27 (5)degrees. The oxidation of bis-catecholates by ferrocenium tetrafluoroborate or tetrabromo-p-benzoquinone leads to loss of one trialkylantimony(V) moiety forming paramagnetic salts containing one-side decoordinated mononuclear semiquinone-catecholato [R(3)Sb(Cat-SQ)](-) anion detected by EPR. The oxidation of 1 by air oxygen allows to prepare mononuclear quinone-catecholate Me(3)Sb(Cat-Q) (3). (c) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.09.008