9α,11β-DICHLORO-17α-HYDROXY-16β-METHYLPREGNA-1,4-DIENE-3,20-DIONE 17-VALERATE | 86270-73-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 9α,11β-DICHLORO-17α-HYDROXY-16β-METHYLPREGNA-1,4-DIENE-3,20-DIONE 17-VALERATE
• 英文别名: [(8S,9R,10S,11S,13S,14S,16S,17R)-17-acetyl-9,11-dichloro-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate
• CAS: 86270-73-7
• 化学式: C₂₇H₃₆Cl₂O₄
• 分子量: 495.486
• InChiKey: GCKJPPIASCURJC-VADKKIFPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  9α,11β-dichloro-17α-hydroxy-16β-methylpregna-1,4-diene-3,20-dione 、 戊酸酐 在 甲烷磺酸 、 三氟乙酸 作用下， 生成 9α,11β-DICHLORO-17α-HYDROXY-16β-METHYLPREGNA-1,4-DIENE-3,20-DIONE 17-VALERATE
  参考文献：
  名称：

  Novel process for the preparation of steroidal esters

  摘要：

  这段文字描述了一种制备皮质类固醇酯的过程，其中包括酯化化合物的步骤。

  公开号：

  US04655971A1

文献信息

• Steroidal esters and process for the preparation of steroidal esters
  申请人：PLURICHEMIE ANSTALT

  公开号：EP0072200B1

  公开（公告）日：1985-11-21
• Novel process for the preparation of steroidal esters
  申请人：Plurichemie Anstalt

  公开号：US04655971A1

  公开（公告）日：1987-04-07

  A process for the preparation of corticosteriod esters of the formula ##STR1## in which ---- signifies that a double bond can be present; X is hydrogen, chlorine or fluorine; R.sub.1 is hydrogen, fluorine, chlorine or methyl, which may be either .alpha. or .beta.; R.sub.2 is halogen, oxo or hydroxyl; or R.sub.3 is hydrogen, .alpha.-methyl or .beta.-methyl; or R.sub.2 and X jointly form an epoxide group; R.sub.4 is an acyl group of the formula RCO, in which R is one of the following (i) an alkyl group containing 1 to 16 carbon atoms, whether straight-chained, branched or cyclic; (ii) an aralkyl group of 7 to 8 carbon atoms; (iii) a phenyl group; R.sub.5 is hydroxyl or R.sub.6 ; where R.sub.6 is hydrogen, one or two halogen atom substituents or OR.sub.7, where R.sub.7 is an acyl group of the formula R'CO in which R', which can be identical or different to R in the same molecule, is one of the following: (i) an alkyl group of 1 to 16 carbon atoms, whether straight-chained, branched or cyclic; (ii) an aralkyl group of 7 to 8 carbon atoms; or (iii) a phenyl group. which comprises esterifying a compound of the formula ##STR2## wherein X, R.sub.1, R.sub.3 and R.sub.5 are as defined above, and R.sub.8 is trihaloacetate, halogen or oxo, or jointly forms an epoxide group with X; at the 17-position only, or at the 17- and 21-positions when R.sub.5 in formula III is hydroxyl, the said esterification being carried out with the anhydride of the acid containing the group desired.

  这段文字描述了一种制备皮质类固醇酯的过程，其中包括酯化化合物的步骤。