2-tert-butyl-4-methyl-6-[(6-tert-butyl-8-methyl-2H-1,3-benzoxazin-3(4H)-yl)methyl]phenol | 91432-07-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 2-tert-butyl-4-methyl-6-[(6-tert-butyl-8-methyl-2H-1,3-benzoxazin-3(4H)-yl)methyl]phenol
• 英文别名: 2-Tert-butyl-6-[(8-tert-butyl-6-methyl-2,4-dihydro-1,3-benzoxazin-3-yl)methyl]-4-methylphenol
• CAS: 91432-07-4
• 化学式: C₂₅H₃₅NO₂
• 分子量: 381.558
• InChiKey: RPZBIBAMDHAFIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-tert-butyl-4-methyl-6-[(6-tert-butyl-8-methyl-2H-1,3-benzoxazin-3(4H)-yl)methyl]phenol 以98%的产率得到
  参考文献：
  名称：

  KOSTYUCHENKO, V. M., HOB. NAPRAVLENIYA ISPOLZ. PRODUKTOV NEFTEPERERAB. I NEFTEXIMII, M.,(1989)+

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2',2''-[nitrilotris(methylene)]tris[6-tert-butyl-4-methylphenol] 生成 2-tert-butyl-4-methyl-6-[(6-tert-butyl-8-methyl-2H-1,3-benzoxazin-3(4H)-yl)methyl]phenol
  参考文献：
  名称：

  KOSTYUCHENKO, V. M., HOB. NAPRAVLENIYA ISPOLZ. PRODUKTOV NEFTEPERERAB. I NEFTEXIMII, M.,(1989)+

  摘要：

  DOI：

文献信息

• Kostyuchenko, V. M.; Kiryukhina, G. A., Journal of Organic Chemistry USSR (English Translation), 1985, vol. 21, # 10, p. 2052 - 2054
  作者：Kostyuchenko, V. M.、Kiryukhina, G. A.

  DOI：——

  日期：——
• Steric effects on forming different by-products in the formylation reaction of 2,4-dialkylphenol (dialkyl=t-Bu/t-Bu, t-Bu/Me and Me/Me) proved by their structural and spectral characterizations
  作者：Wei Huang、Zhaolian Chu、Feng Xu

  DOI：10.1016/j.molstruc.2007.10.035

  日期：2008.8

  In the formylation reaction of 2,4-dialkylphenol (2,4-di-tert-butylphenol, 2-tert-butyl-4-methylphenol and 2,4-dimethylphenol) in the presence of hexamethylenetetramine, steric effects of alkyl groups play important roles in forming different types of by-products, namely 2,4-di-tert-butyl-6-[(6,8-di-tei-t-butyl-2H-1,3-benzoxazin-3(4H)-yl)methyl]phenol (1), 2-tert-butyl-4-methyl-6-[(6-tert-butyl-8-methyl-2H-1,3-benzoxazin-3(4H)-yl)methyl]phenol (2) and tris(2-hydroxy-3,5-dimethylbenzyl)amine hydrochlorate (3). These three compounds are fully characterized and single-crystal structures of 1 and 3 are further elucidated. (C) 2007 Elsevier B.V. All rights reserved.
• KOSTYUCHENKO, V. M., HOB. NAPRAVLENIYA ISPOLZ. PRODUKTOV NEFTEPERERAB. I NEFTEXIMII, M.,(1989)+
  作者：KOSTYUCHENKO, V. M.

  DOI：——

  日期：——
• KOSTYUCHENKO, V. M.;KIRYUXINA, G. A., ZH. ORGAN. XIMII, 1985, 21, N 10, 2243-2245
  作者：KOSTYUCHENKO, V. M.、KIRYUXINA, G. A.

  DOI：——

  日期：——