(4R,9R,12S,14S,17R,22R)-27,29-dimethoxy-12,14-dimethyl-9,17-diphenyl-3,10,13,16,23-pentaoxatetracyclo[23.3.1.04,9.017,22]nonacosa-1(28),25(29),26-triene | 171561-09-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (4R,9R,12S,14S,17R,22R)-27,29-dimethoxy-12,14-dimethyl-9,17-diphenyl-3,10,13,16,23-pentaoxatetracyclo[23.3.1.04,9.017,22]nonacosa-1(28),25(29),26-triene
• CAS: 171561-09-4
• 化学式: C₄₀H₅₂O₇
• 分子量: 644.849
• InChiKey: UNEBKKGBFXXVNJ-NJAWACRBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  47
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (4R,9R,12S,14S,17R,22R)-27,29-dimethoxy-12,14-dimethyl-9,17-diphenyl-3,10,13,16,23-pentaoxatetracyclo[23.3.1.04,9.017,22]nonacosa-1(28),25(29),26-triene 在 lithium aluminium tetrahydride 作用下， 以71%的产率得到(11R,12R,71R,72R,10S,12S)-45-methoxy-10,12-dimethyl-12,72-diphenyl-2,6,8,11,14-pentaoxa-4(1,3)-benzena-1,7(1,2)-dicyclohexanacyclotetradecaphan-42-ol
  参考文献：
  名称：

  Preparation and enantiomer recognition of chiral azophenolic crown ethers having three chiral barriers on each of the homotopic faces

  摘要：

  Homochiral azophenolic crown ethers 1 and 2 having three chiral barriers, that is, the phenyl group, the methyl group, and the cyclohexane moiety on each of the homotopic faces have been prepared. The enantiomer recognition toward chiral 2-aminoethanol derivatives has been examined.

  DOI：

  10.1016/0957-4166(95)00240-p
• 作为产物：
  描述：

  在 盐酸 、 甲醇 、 sodium hydride 、 氟硼酸钾 作用下， 生成 (4R,9R,12S,14S,17R,22R)-27,29-dimethoxy-12,14-dimethyl-9,17-diphenyl-3,10,13,16,23-pentaoxatetracyclo[23.3.1.04,9.017,22]nonacosa-1(28),25(29),26-triene
  参考文献：
  名称：

  Preparation and enantiomer recognition of chiral azophenolic crown ethers having three chiral barriers on each of the homotopic faces

  摘要：

  Homochiral azophenolic crown ethers 1 and 2 having three chiral barriers, that is, the phenyl group, the methyl group, and the cyclohexane moiety on each of the homotopic faces have been prepared. The enantiomer recognition toward chiral 2-aminoethanol derivatives has been examined.

  DOI：

  10.1016/0957-4166(95)00240-p

文献信息

• Preparation and enantiomer recognition of chiral azophenolic crown ethers having three chiral barriers on each of the homotopic faces
  作者：Koichiro Naemura、Masaki Asada、Keiji Hirose、Yoshito Tobe

  DOI：10.1016/0957-4166(95)00240-p

  日期：1995.8

  Homochiral azophenolic crown ethers 1 and 2 having three chiral barriers, that is, the phenyl group, the methyl group, and the cyclohexane moiety on each of the homotopic faces have been prepared. The enantiomer recognition toward chiral 2-aminoethanol derivatives has been examined.