(2S,3S)-3-(乙酰氧基)-5-[2-(二甲基氨基)乙基]-2,3-二氢-2-(4-羟基苯基)-1,5-苯并硫氮杂卓-4(5H)-酮 | 84903-78-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 中文名称: (2S,3S)-3-(乙酰氧基)-5-[2-(二甲基氨基)乙基]-2,3-二氢-2-(4-羟基苯基)-1,5-苯并硫氮杂卓-4(5H)-酮
• 中文别名: O-去甲基地尔硫卓；地尔硫卓EP杂质C
• 英文名称: O-Desmethyldiltiazem
• 英文别名: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
• CAS: 84903-78-6
• 化学式: C₂₁H₂₄N₂O₄S
• 分子量: 400.5
• InChiKey: ALISTFINEQANJP-UXHICEINSA-N

物化性质

• 沸点：
  611.9±55.0 °C(Predicted)
• 密度：
  1.32

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  95.4
• 氢给体数：
  1
• 氢受体数：
  6

ADMET

代谢

O-脱甲基地尔硫卓是地尔硫卓在人身体内已知的一种代谢物。

O-Demethyldiltiazem is a known human metabolite of diltiazem.

来源:NORMAN Suspect List Exchange

文献信息

• Method for aromatic fluorination
  申请人：DOW GLOBAL TECHNOLOGIES LLC

  公开号：US10654776B2

  公开（公告）日：2020-05-19

  Disclosed is a fluorination method comprising providing an aryl fluorosulfonate and a fluorinating reagent to a reaction mixture; and reacting the aryl fluorosulfonate and the fluorinating reagent to provide a fluorinated aryl species. Also disclosed is a fluorination method comprising providing, a salt comprising a cation and an aryloxylate, and SO2F2 to a reaction mixture; reacting the SO2F2 and the ammonium salt to provide a fluorinated aryl species. Further disclosed a fluorination method comprising providing a compound having the structure Ar—OH to a reaction mixture; where A is an aryl or heteroaryl; providing SO2F2 to the reaction mixture; providing a fluorinating reagent to the reaction mixture; reacting the SO2F2, the fluorinating reagent and the compound having the structure Ar—OH to provide a fluorinated aryl species having the structure Ar—F.

  公开了一种氟化方法，包括向反应混合物中提供芳基氟磺酸盐和氟化试剂；以及使芳基氟磺酸盐和氟化试剂反应以提供氟化芳基物种。还公开了一种氟化方法，包括向反应混合物中提供包含阳离子和芳基氧基的盐和 SO2F2；使 SO2F2 和铵盐反应以提供氟化芳基物种。进一步公开了一种氟化方法，包括向反应混合物中提供具有 Ar-OH 结构的化合物；其中 A 为芳基或杂芳基；向反应混合物中提供 SO2F2；向反应混合物中提供氟化试剂；使 SO2F2、氟化试剂和具有 Ar-OH 结构的化合物反应，以提供具有 Ar-F 结构的氟化芳基。
• METHOD FOR AROMATIC FLUORINATION
  申请人：Dow Global Technologies LLC

  公开号：EP3452437B1

  公开（公告）日：2020-07-29
• [EN] METHOD FOR AROMATIC FLUORINATION<br/>[FR] PROCÉDÉ DE FLUORATION AROMATIQUE
  申请人：DOW GLOBAL TECHNOLOGIES LLC

  公开号：WO2017192564A1

  公开（公告）日：2017-11-09

  Disclosed is a fluorination method comprising providing an aryl fluorosuifonate and a fluorinating reagent to a reaction mixture; and reacting the aryl fluorosuifonate and the fluorinating reagent to provide a fluorinated aryl species. Also disclosed is a fluorination method comprising providing, a salt comprising a cation and an aryloxyiate, and SO2F2 to a reaction mixture; reacting the SO2F2 and the ammonium salt to provide a fluorinated aryl species. Further disclosed a fluorination method comprising providing a compound having the structure Ar-OH to a reaction mixture; where A is an aryl or heteroaryl; providing SO2F2 to the reaction mixture; providing a fluorinating reagent to the reaction mixture; reacting the SO2F2, the fluorinating reagent and the compound having the structure Ar-OH to provide a fluorinated aryl species having the structure Ar-F.