Benzoic acid (3aS,4R,6S,7R,7aS)-4-(tert-butyl-diphenyl-silanyloxymethyl)-2-ethoxy-6-(3-methoxy-pyridin-2-yloxy)-2-methyl-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl ester | 347391-64-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Benzoic acid (3aS,4R,6S,7R,7aS)-4-(tert-butyl-diphenyl-silanyloxymethyl)-2-ethoxy-6-(3-methoxy-pyridin-2-yloxy)-2-methyl-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl ester
• CAS: 347391-64-4
• 化学式: C₃₉H₄₅NO₉Si
• 分子量: 699.873
• InChiKey: NDFZRVXLXCQWTB-VARXWCBASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.49
• 重原子数：
  50.0
• 可旋转键数：
  12.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  103.8
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  Benzoic acid (3aS,4R,6S,7R,7aS)-4-(tert-butyl-diphenyl-silanyloxymethyl)-2-ethoxy-6-(3-methoxy-pyridin-2-yloxy)-2-methyl-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl ester 在 四氟硼酸-二乙醚络合物 、 ytterbium(III) triflate 作用下， 以 乙醚 、 二氯甲烷 、 acetate buffer 为溶剂， 反应 5.0h， 生成 6-benzyloxycarbonylamino-1-hexanyl O-(2,3,4,6-tetra-O-benzyl-α-D-galactopyranosyl)-(1-3)-4-O-acetyl-2-O-benzoyl-6-O-tert-butyldiphenylsilyl-β-D-galactopyranoside
  参考文献：
  名称：

  Practical syntheses of B disaccharide and linear B type 2 trisaccharide—non-primate epitope markers recognized by human anti-α-Gal antibodies causing hyperacute rejection of xenotransplants

  摘要：

  Synthetic protocols are presented for the elaboration of Gal alpha1 --> 3GalOR and Gal alpha1 --> 3Gal beta1 --> 4GlcNAcOR di- and trisaccharides that use a common Gal donor/acceptor unit, and are potentially adaptable to scale-up. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00196-x
• 作为产物：
  描述：

  3-methoxy-2-pyridyl β-D-galactopyranoside 在 咪唑 、 4-二甲氨基吡啶 、 pyridinium triflate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.25h， 生成 Benzoic acid (3aS,4R,6S,7R,7aS)-4-(tert-butyl-diphenyl-silanyloxymethyl)-2-ethoxy-6-(3-methoxy-pyridin-2-yloxy)-2-methyl-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl ester
  参考文献：
  名称：

  Practical syntheses of B disaccharide and linear B type 2 trisaccharide—non-primate epitope markers recognized by human anti-α-Gal antibodies causing hyperacute rejection of xenotransplants

  摘要：

  Synthetic protocols are presented for the elaboration of Gal alpha1 --> 3GalOR and Gal alpha1 --> 3Gal beta1 --> 4GlcNAcOR di- and trisaccharides that use a common Gal donor/acceptor unit, and are potentially adaptable to scale-up. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00196-x