5-氯-3-氟-2-碘吡啶 | 514797-98-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 5-氯-3-氟-2-碘吡啶
• 英文名称: 5-chloro-3-fluoro-2-iodopyridine
• CAS: 514797-98-9
• 化学式: C₅H₂ClFIN
• 分子量: 257.433
• InChiKey: CKAAMIXTBBVWRV-UHFFFAOYSA-N

物化性质

• 沸点：
  219.7±35.0 °C(Predicted)
• 密度：
  2.129±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  5-氯-3-氟-2-碘吡啶 在 2,2,6,6-四甲基哌啶 、 正丁基锂 、 二异丙胺 作用下， 以 四氢呋喃 、 正己烷 、 甲苯 为溶剂， 反应 5.5h， 生成 3-chloro-5-fluoro-2-iodo-4-pyridinecarboxylic acid
  参考文献：
  名称：

  Creating Structural Manifolds from a Common Precursor: Basicity Gradient-Driven Isomerization of Halopyridines

  摘要：

  5-Chloro-2,3-difluoropyridine, an intermediate in the manufacturing process of an industrial pesticide, can be hydrolyzed to 5-chloro-3-fluoro-2H-pyridinone and the latter converted into 2,5-dichloro-3-fluoropyridine (1a), 2-bromo-5chloro-3-fluoropyridine (1b), 5-chloro-3-fluoro-2-iodopyridine (1c) and 3-chloro-5-fluoropyridine (1d). Consecutive treatment of these four substrates with lithium diisopropylamide and carbon dioxide or lithium diisopropylamide and iodine affords the corresponding 4-pyridinecarboxylic acids 2 and 4-iodopyridines 3, respectively. Amide-promoted deprotonation of such 4-iodopyridines 3 triggers an isomerization in which lithium and iodine change places. The resulting species can be trapped with carbon dioxide to give the acids 5a-c or neutralized to give the halopyridines 4a-c. The iodopyridines 4a and 4b can be converted into the acids 6a and 6b, the latter product leading also to the congeners 6c and 6d. The diiodopyridine 4c provides an entry to the halopyridine 4d, which at the same time may act as the precursor to the acid 5d, the acid 7 or the bisacid 8. Finally, the acid 9 is accessible from either one of the 5-chloro-3-fluoro-2-halopyridines 1b and 1c. (C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2002).

  DOI：

  10.1002/1099-0690(200212)2002:24<4174::aid-ejoc4174>3.0.co;2-6
• 作为产物：
  描述：

  2-溴-3-氟-5-氯吡啶 在 异丙基氯化镁 、 碘 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以59%的产率得到5-氯-3-氟-2-碘吡啶
  参考文献：
  名称：

  Creating Structural Manifolds from a Common Precursor: Basicity Gradient-Driven Isomerization of Halopyridines

  摘要：

  5-Chloro-2,3-difluoropyridine, an intermediate in the manufacturing process of an industrial pesticide, can be hydrolyzed to 5-chloro-3-fluoro-2H-pyridinone and the latter converted into 2,5-dichloro-3-fluoropyridine (1a), 2-bromo-5chloro-3-fluoropyridine (1b), 5-chloro-3-fluoro-2-iodopyridine (1c) and 3-chloro-5-fluoropyridine (1d). Consecutive treatment of these four substrates with lithium diisopropylamide and carbon dioxide or lithium diisopropylamide and iodine affords the corresponding 4-pyridinecarboxylic acids 2 and 4-iodopyridines 3, respectively. Amide-promoted deprotonation of such 4-iodopyridines 3 triggers an isomerization in which lithium and iodine change places. The resulting species can be trapped with carbon dioxide to give the acids 5a-c or neutralized to give the halopyridines 4a-c. The iodopyridines 4a and 4b can be converted into the acids 6a and 6b, the latter product leading also to the congeners 6c and 6d. The diiodopyridine 4c provides an entry to the halopyridine 4d, which at the same time may act as the precursor to the acid 5d, the acid 7 or the bisacid 8. Finally, the acid 9 is accessible from either one of the 5-chloro-3-fluoro-2-halopyridines 1b and 1c. (C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2002).

  DOI：

  10.1002/1099-0690(200212)2002:24<4174::aid-ejoc4174>3.0.co;2-6

文献信息

• [EN] PYRAZOLESULFONAMIDES AS ANTITUMOR AGENTS<br/>[FR] PYRAZOLESULFONAMIDES EN TANT QU'AGENTS ANTITUMORAUX
  申请人：PELOTON THERAPEUTICS INC

  公开号：WO2020210139A1

  公开（公告）日：2020-10-15

  Compounds of formula I, that induce RBM39 protein degradation, pharmaceutical compositions containing these compounds, and methods of using these compounds for treating diseases associated with RBM39 protein activity are described herein.

  公式I的化合物，能诱导RBM39蛋白降解，包含这些化合物的药物组合物，以及使用这些化合物治疗与RBM39蛋白活性相关疾病的方法，在本发明中有所描述。
• PYRROLE COMPOUNDS
  申请人：Nishida Haruyuki

  公开号：US20100056577A1

  公开（公告）日：2010-03-04

  The present invention relates to a compound represented by the formula: wherein A is pyridyl group having at least one substituent wherein R 1 , R 2 and R 3 are each a hydrogen atom, a halogen atom, a C 1-6 alkyl group optionally substituted by halogen or a C 1-6 alkoxy group optionally substituted by halogen, R 4 and R 6 are each a hydrogen atom, a halogen atom or a C 1-6 alkyl group optionally substituted by halogen, R 5 is a hydrogen atom, a halogen atom, a C 1-6 alkyl group optionally substituted by halogen or a C 1-6 alkoxy group optionally substituted by halogen, and R 7 is a hydrogen atom or a C 1-6 alkyl group optionally substituted by halogen or a salt thereof, or a pharmaceutical composition containing the same.

  本发明涉及一种由以下公式表示的化合物：其中A是含有至少一个取代基的吡啶基，其中R1、R2和R3分别是氢原子、卤素原子、一种C1-6烷基，该烷基可选择地被卤素取代，或一种C1-6烷氧基，该烷氧基可选择地被卤素取代，R4和R6分别是氢原子、卤素原子或一种C1-6烷基，该烷基可选择地被卤素取代，R5是氢原子、卤素原子、一种C1-6烷基，该烷基可选择地被卤素取代，或一种C1-6烷氧基，该烷氧基可选择地被卤素取代，R7是氢原子或一种C1-6烷基，该烷基可选择地被卤素取代，或其盐，或含有该化合物的药物组合物。
• SPIRO AMINIC COMPOUNDS AS OREXIN ANTAGONISTS
  申请人：Rottapharm Biotech S.r.l.

  公开号：EP2794593B1

  公开（公告）日：2017-02-01
• THIADIAZOLE IRAK4 INHIBITORS
  申请人：Gilead Sciences, Inc.

  公开号：US20220402910A1

  公开（公告）日：2022-12-22

  A compound of Formula (I): pharmaceutically acceptable salts thereof, deuterated analogs thereof, compositions thereof, and methods of treating disease using a compound thereof are disclosed.
• US8592597B2
  申请人：——

  公开号：US8592597B2

  公开（公告）日：2013-11-26