1-[4-[1-[4-[1-[3-[5-[2-[4-[1,3-Dihydroxy-2-(2-methoxy-4-methylphenoxy)propyl]-2-methoxyphenoxy]-1,3-dihydroxypropyl]-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]-1,3-dihydroxypropan-2-yl]oxy-3-methoxyphenyl]-1,3-dihydroxypropan-2-yl]oxy-3-methoxyphenyl]-2-methoxypropane-1,3-diol

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 1-[4-[1-[4-[1-[3-[5-[2-[4-[1,3-Dihydroxy-2-(2-methoxy-4-methylphenoxy)propyl]-2-methoxyphenoxy]-1,3-dihydroxypropyl]-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]-1,3-dihydroxypropan-2-yl]oxy-3-methoxyphenyl]-1,3-dihydroxypropan-2-yl]oxy-3-methoxyphenyl]-2-methoxypropane-1,3-diol
• 英文别名: 1-[4-[1-[4-[1-[3-[5-[2-[4-[1,3-dihydroxy-2-(2-methoxy-4-methylphenoxy)propyl]-2-methoxyphenoxy]-1,3-dihydroxypropyl]-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]-1,3-dihydroxypropan-2-yl]oxy-3-methoxyphenyl]-1,3-dihydroxypropan-2-yl]oxy-3-methoxyphenyl]-2-methoxypropane-1,3-diol
• 化学式: C₅₉H₇₂O₂₃
• 分子量: 1149.2
• InChiKey: ACPSZSOBMZJBOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  82
• 可旋转键数：
  31
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  344
• 氢给体数：
  12
• 氢受体数：
  23

文献信息

• SELECTIVE AEROBIC ALCOHOL OXIDATION METHOD FOR CONVERSION OF LIGNIN INTO SIMPLE AROMATIC COMPOUNDS
  申请人：WISCONSIN ALUMNI RESEARCH FOUNDATION

  公开号：US20140235838A1

  公开（公告）日：2014-08-21

  Described is a method to oxidize lignin or lignin sub-units. The method includes oxidation of secondary benzylic alcohol in the lignin or lignin sub-unit to a corresponding ketone in the presence of unprotected primarily aliphatic alcohol in the lignin or lignin sub-unit. The optimal catalyst system consists of HNO 3 in combination with another Brønsted acid, in the absence of a metal-containing catalyst, thereby yielding a selectively oxidized lignin or lignin sub-unit. The method may be carried out in the presence or absence of additional reagents including TEMPO and TEMPO derivatives.

  描述了一种氧化木质素或木质素亚单位的方法。该方法包括在未保护的主要脂肪醇存在下，将木质素或木质素亚单位中的次苄基醇氧化为相应的酮。最佳催化剂体系由HNO3与另一种Brønsted酸组成，在无金属催化剂的情况下，从而产生选择性氧化的木质素或木质素亚单位。该方法可以在存在或不存在包括TEMPO和TEMPO衍生物在内的额外试剂的情况下进行。
• US8969534B2
  申请人：——

  公开号：US8969534B2

  公开（公告）日：2015-03-03