1-(2-(methylsulfonyl)pyridin-4-yl)propan-1-one | 1220126-90-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-(methylsulfonyl)pyridin-4-yl)propan-1-one
• 英文别名: 1-(2-Methanesulfonyl-pyridin-4-yl)-propan-1-one；1-(2-methylsulfonylpyridin-4-yl)propan-1-one
• CAS: 1220126-90-8
• 化学式: C₉H₁₁NO₃S
• 分子量: 213.257
• InChiKey: ULHLCOXBIQPYDP-UHFFFAOYSA-N

物化性质

• 沸点：
  435.2±45.0 °C(Predicted)
• 密度：
  1.236±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  72.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2-(methylsulfonyl)pyridin-4-yl)propan-1-one 在 盐酸羟胺 、 铁粉 、 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 0.33h， 生成 (Z)-N-(1-(2-(methylsulfonyl)pyridin-4-yl)prop-1-en-1-yl)acetamide
  参考文献：
  名称：

  Development of an Enantioselective Hydrogenation Route to (S)-1-(2-(Methylsulfonyl)pyridin-4-yl)propan-1-amine

  摘要：

  A highly enantioselective enamide hydrogenation route to the title amine was developed. Highlights of the synthesis include an efficient two-step synthesis of a 2-sulfonyl 4-pyridyl ethyl ketone, a simple enamide synthesis by direct condensation of propionamide with a ketone, catalytic asymmetric enamide hydrogenation employing the in-house-developed ligand MeO-BIBOP, and a mild epimerization-free deprotection of a propionamide using Koenig's procedure.

  DOI：

  10.1021/op5001513
• 作为产物：
  描述：

  2-氯异烟酸 在 四丁基溴化铵 作用下， 以 四氢呋喃 、 水 、 甲苯 为溶剂， 反应 12.0h， 生成 1-(2-(methylsulfonyl)pyridin-4-yl)propan-1-one
  参考文献：
  名称：

  Development of an Enantioselective Hydrogenation Route to (S)-1-(2-(Methylsulfonyl)pyridin-4-yl)propan-1-amine

  摘要：

  A highly enantioselective enamide hydrogenation route to the title amine was developed. Highlights of the synthesis include an efficient two-step synthesis of a 2-sulfonyl 4-pyridyl ethyl ketone, a simple enamide synthesis by direct condensation of propionamide with a ketone, catalytic asymmetric enamide hydrogenation employing the in-house-developed ligand MeO-BIBOP, and a mild epimerization-free deprotection of a propionamide using Koenig's procedure.

  DOI：

  10.1021/op5001513

文献信息

• Azaindazole Compounds As CCR1 Receptor Antagonists
  申请人：COOK Brian Nicholas

  公开号：US20100093724A1

  公开（公告）日：2010-04-15

  Disclosed are compounds of the formula (I), useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of CCR1 including autoimmune diseases, such as rheumatoid arthritis and multiple sclerosis. Also disclosed are methods of making and methods of using same.

  本发明涉及式(I)化合物，其可用于治疗多种疾病和障碍，这些疾病和障碍是通过CCR1的活性介导或维持的，包括自身免疫性疾病，如类风湿性关节炎和多发性硬化症。同时，本发明还涉及制备方法和使用方法。
• Azaindazole compounds as CCR1 receptor antagonists
  申请人：Boehringer Ingelheim International GmbH

  公开号：US08163918B2

  公开（公告）日：2012-04-24

  Disclosed are compounds of the formula (I), useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of CCR1 including autoimmune diseases, such as rheumatoid arthritis and multiple sclerosis. Also disclosed are intermediates thereof, and methods of making and methods of using same.

  公开了式(I)的化合物，可用于治疗多种通过CCR1活性介导或维持的疾病和障碍，包括自身免疫性疾病，如类风湿性关节炎和多发性硬化症。还公开了其中间体，以及制备和使用它们的方法。
• Heterocyclic Compounds As CCR1 Receptor Antagonists
  申请人：Cook Brian Nicholas

  公开号：US20120270879A1

  公开（公告）日：2012-10-25

  Disclosed are CCR1 receptor antagonists of the formula (I) wherein Ar1, Ar2, R1-R3, X and L are disclosed herein. Also disclosed are compositions, methods of making and using compounds of the formula (I).

  本发明涉及式(I)的CCR1受体拮抗剂，其中Ar1、Ar2、R1-R3、X和L在此披露。本发明还涉及式(I)化合物的组合物、制备方法和使用方法。
• Pyridinyl compounds useful as intermediates
  申请人：Boehringer Ingelheim International GmbH

  公开号：US08338610B2

  公开（公告）日：2012-12-25

  Disclosed are compounds of the formula (I), useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of CCR1 including autoimmune diseases, such as rheumatoid arthritis and multiple sclerosis. Also disclosed are intermediates thereof, and methods of making and methods of using same.

  公开了式(I)的化合物，可用于治疗各种由CCR1活性介导或维持的疾病和障碍，包括自身免疫性疾病，如类风湿性关节炎和多发性硬化症。还公开了其中间体以及制备和使用它们的方法。
• Pyridinyl Compounds Useful As Intermediates
  申请人：COOK Brian Nicholas

  公开号：US20120136158A1

  公开（公告）日：2012-05-31

  Disclosed are compounds of the formula (I), useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of CCR1 including autoimmune diseases, such as rheumatoid arthritis and multiple sclerosis. Also disclosed are intermediates thereof, and methods of making and methods of using same.

  本发明涉及一种式(I)的化合物，可用于治疗多种通过CCR1活性介导或维持的疾病和障碍，包括自身免疫性疾病，例如类风湿性关节炎和多发性硬化症。本发明还涉及其中间体，以及制备和使用它们的方法。