(6-{2-[3-(4-fluoro-phenyl)-1-isopropyl-1H-indol-2-yl]-vinyl}-2,2-dimethyl-[1,3]dioxan-4-yl)acetic acid tert-butyl ester | 1025085-47-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (6-{2-[3-(4-fluoro-phenyl)-1-isopropyl-1H-indol-2-yl]-vinyl}-2,2-dimethyl-[1,3]dioxan-4-yl)acetic acid tert-butyl ester
• 英文别名: tert-butyl 2-[6-[(E)-2-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
• CAS: 1025085-47-5
• 化学式: C₃₁H₃₈FNO₄
• 分子量: 507.645
• InChiKey: QGKLFNQKKUKAQS-WUKNDPDISA-N

物化性质

• 沸点：
  608.7±55.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  49.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (6-{2-[3-(4-fluoro-phenyl)-1-isopropyl-1H-indol-2-yl]-vinyl}-2,2-dimethyl-[1,3]dioxan-4-yl)acetic acid tert-butyl ester 在 盐酸 、 水 、 sodium hydroxide 作用下， 以 乙腈 、 水 为溶剂， 反应 18.0h， 生成 fluvastatin sodium
  参考文献：
  名称：

  WO2005/19170

  摘要：

  公开号：

文献信息

• Process for the preparation of indole derivatives
  申请人：Wolleb Heinz

  公开号：US20050032875A1

  公开（公告）日：2005-02-10

  A process for the preparation of compounds of formula (I) wherein R 1 is unsubstituted or substituted C 1 -C 8 alkyl, R 2 , R 3 , R 4 and R 5 are each independently of the others hydrogen, unsubstituted or substituted C 1 -C 8 alkyl, C 1 -C 8 alkoxy, phenoxy or benzyloxy, or halogen, Y 1 and Y 2 are each independently of the other hydrogen or a protecting group, or Y 1 and Y 2 together form a protecting bridge, and X 1 is hydrogen, an organic radical or a cation, in which process a compound of formula (II) wherein R 1 R 2 , R 3 , R 4 and R 5 are as defined above and Z 1 is a leaving group, is reacted, in the presence of a catalytically effective amount of a palladium catalyst, with a compound of formula (III) wherein R 6 is hydrogen, bromine, chlorine, iodine, —OSO 2 CF 3 , —COCI, —B(OH) 2 or a mono- or di-ester derived from —B(OH) 2 , Y 3 and Y 4 are each a protecting group, or Y 3 and Y 4 together form a protecting bridge, and X 1 is as defined above, to form a compound of formula (IV) and if desired the radicals Y 3 and Y 4 are converted into the radicals Y 1 and Y 2 where Y 1 and Y 2 are hydrogen.

  一种制备式为(I)化合物的方法，其中R1是未取代或取代的C1-C8烷基，R2、R3、R4和R5各自独立地为氢、未取代或取代的C1-C8烷基、C1-C8烷氧基、苯氧基或苄氧基，或卤素，Y1和Y2各自独立地为氢或保护基，或Y1和Y2共同形成保护桥，X1为氢、有机基团或阳离子，在该方法中，式为(II)的化合物与式为(III)的化合物反应，其中R1、R2、R3、R4、R5和X1如上所定义，Z1为离去基团，存在催化作用的钯催化剂的情况下，其中R6为氢、溴、氯、碘、-OSO2CF3、-COCI、-B(OH)2或由-B(OH)2衍生的单酯或双酯，Y3和Y4各自为保护基，或Y3和Y4共同形成保护桥，X1如上所定义，形成式为(IV)的化合物，如果需要，将基团Y3和Y4转化为基团Y1和Y2，其中Y1和Y2为氢。
• PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES
  申请人：Ciba Speciality Chemicals Holding Inc.

  公开号：EP1423365A1

  公开（公告）日：2004-06-02
• [EN] PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES<br/>[FR] ELABORATION DE DERIVES INDOLE
  申请人：CIBA SC HOLDING AG

  公开号：WO2003018555A1

  公开（公告）日：2003-03-06

  A process for the preparation of compounds of formula (I) wherein R1 is unsubstituted or substituted C1-C8alkyl, R2, R3, R4 and R5 are each independently of the others hydrogen, unsubstituted or substituted C1-C8alkyl, C1-C8 alkoxy, phenoxy or benzyloxy, or halogen, Y1 and Y2 are each independently of the other hydrogen or a protecting group, or Y1 and Y2 together form a protecting bridge, and X1 is hydrogen, an organic radical or a cation, in which process a compound of formula (II) wherein R1 R2 R3, R4 and R5 are as defined above and Z1 is a leaving group, is reacted, in the presence of a catalytically effective amount of a palladium catalyst, with a compound of formula (III) wherein R6 is hydrogen, bromine, chlorine, iodine, -OSO2CF3, -COCI, -B(OH)2 or a mono- or di-ester derived from -B(OH)2, Y3 and Y4 are each a protecting group, or Y3 and Y4 together form a protecting bridge, and X1 is as defined above, to form a compound of formula (IV) and if desired the radicals Y3 and Y4 are converted into the radicals Y1 and Y2 where Y1 and Y2 are hydrogen.