3-benzyloxymethyl-25-benzyloxymethyloxy-7,8-dihydroxyvitamin D2 | 950586-23-9

• 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: 3-benzyloxymethyl-25-benzyloxymethyloxy-7,8-dihydroxyvitamin D2
• 英文别名: (1R,3aR,7aR)-1-[(E,2R,5S)-5,6-dimethyl-6-(phenylmethoxymethoxy)hept-3-en-2-yl]-4-[(2Z)-1-hydroxy-2-[(5S)-2-methylidene-5-(phenylmethoxymethoxy)cyclohexylidene]ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol
• CAS: 950586-23-9
• 化学式: C₄₄H₆₂O₆
• 分子量: 686.973
• InChiKey: ZLUSYTAPNXGFDW-SKMULKPMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  50
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  77.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-benzyloxymethyl-25-benzyloxymethyloxy-7,8-dihydroxyvitamin D2 在 sodium periodate 、 silica-supported sodium periodate 作用下， 以 甲醇 、 水 为溶剂， 反应 4.0h， 生成 (1R,3aR,7aR)-1-[(E,2R,5S)-5,6-dimethyl-6-(phenylmethoxymethoxy)hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
  参考文献：
  名称：

  PROCESS FOR PRODUCTION OF INDENE DERIVATIVE, AND INTERMEDIATE FOR PRODUCTION OF THE DERIVATIVE

  摘要：

  公开号：

  EP2011781B1
• 作为产物：
  描述：

  3-benzyloxymethyl-25-benzyloxymethyloxyvitamin D2 在 potassium permanganate 、 水 作用下， 以 乙醇 为溶剂， 反应 7.5h， 以10.7%的产率得到3-benzyloxymethyl-25-benzyloxymethyloxy-7,8-dihydroxyvitamin D2
  参考文献：
  名称：

  PROCESS FOR PRODUCTION OF INDENE DERIVATIVE, AND INTERMEDIATE FOR PRODUCTION OF THE DERIVATIVE

  摘要：

  公开号：

  EP2011781B1

文献信息

• Method For Preparing Indene Derivatives, And Intermediates For Preparation Of Derivatives
  申请人：Toyoda Asako

  公开号：US20090177002A1

  公开（公告）日：2009-07-09

  Indene derivatives that are utilizable as intermediates in the synthesis of the vitamin D 2 derivative paricalcitol, which is useful as pharmaceutical are efficiently prepared by subjecting a vitamin D 2 derivative such as 25-hydroxyvitamin D 2 to a two-steps oxidation reaction using an oxidizing agent such as potassium permanganates and sodium periodate in a suitable solvent such as methanol and ethanol.
• METHOD FOR PREPARING INDENE DERIVATIVES, AND INTERMEDIATES FOR PREPARATION OF DERIVATIVES
  申请人：TOYODA Asako

  公开号：US20120289723A1

  公开（公告）日：2012-11-15

  Indene derivatives that are utilizable as intermediates in the synthesis of the vitamin D 2 derivative paricalcitol, which is useful as pharmaceutical are efficiently prepared by subjecting a vitamin D 2 derivative such as 25-hydroxyvitamin D 2 to a two-steps oxidation reaction using an oxidizing agent such as potassium permanganates and sodium periodate in a suitable solvent such as methanol and ethanol.