二氟溴乙酰胺 | 2169-67-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 二氟溴乙酰胺
• 中文别名: 2,2-二氟-2-溴乙酰胺
• 英文名称: 2-bromo-2,2-difluoroacetamide
• 英文别名: bromodifluoroacetamide；Brom-difluor-acetamid；Bromdifluoracetamid
• CAS: 2169-67-7
• 化学式: C₂H₂BrF₂NO
• 分子量: 173.945
• InChiKey: BIWAMAZWCUQBBR-UHFFFAOYSA-N

物化性质

• 熔点：
  86.5-86.7 °C
• 沸点：
  110-111 °C
• 密度：
  2.011±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2924199090
• 安全说明：
  S24/25

反应信息

• 作为反应物：
  描述：

  二氟溴乙酰胺 在 P₄O₁₀ 作用下， 以89%的产率得到2-溴-2,2-二氟-乙腈
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: PerFHalOrg.9, 7, page 50 - 101

  摘要：

  DOI：
• 作为产物：
  描述：

  二氟溴乙酸乙酯 在 氨 作用下， 以93%的产率得到二氟溴乙酰胺
  参考文献：
  名称：

  Nickel-Catalyzed Negishi Cross-Coupling of Bromodifluoroacetamides

  摘要：

  A nickel-catalyzed Negishi coupling of bromodifluoroacetamides with arylzinc reagents has been developed. This reaction allows access to difluoromethylated aromatic compounds containing a variety of aryl groups and amide moieties. Furthermore, highly effective transformation of the functionalized difluoromethyl group (-(CF2CONRR2)-R-1) was realized via microwave-assisted reduction under mild conditions. The notable features of this strategy are its generality and its use of a low-cost nickel catalyst and ligand; thus, this reaction provides a facile method for applications in drug discovery and development.

  DOI：

  10.1021/acs.orglett.6b00232

文献信息

• [EN] ANTIVIRAL HETEROCYCLIC COMPOUNDS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ANTIVIRAUX
  申请人：ENANTA PHARM INC

  公开号：WO2021066922A1

  公开（公告）日：2021-04-08

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit Human Respiratory Syncytial Virus (HRSV) or Human Metapneumovirus (HMPV) inhibitors. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HRSV or HMPV infection. The invention also relates to methods of treating an HRSV or HMPV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了化合物的结构式（I），或其药学上可接受的盐、酯或前药：这些化合物抑制人类呼吸道合胞病毒（HRSV）或人类甲型流感病毒（HMPV）的抑制剂。本发明还涉及包含上述化合物的药物组合物，用于治疗患有HRSV或HMPV感染的受试者。该发明还涉及通过给予含有本发明化合物的药物组合物来治疗受试者的HRSV或HMPV感染的方法。
• A practical and scalable system for heteroaryl amino acid synthesis
  作者：R. A. Aycock、D. B. Vogt、N. T. Jui

  DOI：10.1039/c7sc03612d

  日期：——

  A robust system for the preparation of β-heteroaryl α-amino acid derivatives has been developed using photoredox catalysis. This system operates via regiospecific activation of halogenated pyridines (or other heterocycles) and conjugate addition to dehydroalanine derivatives to deliver a wide range of unnatural amino acids. This process was conducted with good efficiency on large scale, the application

  使用光氧化还原催化已经开发了用于制备β-杂芳基α-氨基酸衍生物的稳健系统。该系统通过卤化吡啶（或其他杂环）的区域特异性活化和向脱氢丙氨酸衍生物的缀合物加成来递送广泛的非天然氨基酸而起作用。该方法大规模有效地进行，显示了这些条件在氨基酮合成中的应用，并且给出了从多种自由基前体制备对映体富集的氨基酸合成的简单方案。
• Visible Light-Induced Radical Rearrangement to Construct C–C Bonds via an Intramolecular Aryl Migration/Desulfonylation Process
  作者：Yuyuan Li、Bei Hu、Wuheng Dong、Xiaomin Xie、Jun Wan、Zhaoguo Zhang

  DOI：10.1021/acs.joc.6b00735

  日期：2016.8.19

  A highly efficient intramolecular selective aryl migration/desulfonylation of 2-bromo-N-aryl-N-(arenesulfonyl)amide via visible light-induced photoredox catalysis has been accomplished. This approach allows for the construction of a variety of multisubstituted N,2-diarylacetamide under mild reaction conditions.

  A高效分子内选择性的2-溴芳基迁移/脱磺酰ñ -芳基- ñ - （芳烃磺酰基）酰胺通过可见光诱导photoredox催化已经完成。该方法允许在温和的反应条件下构建多种多取代的N，2-二芳基乙酰胺。
• Thiyl-Radical-Catalyzed Photoreductive Hydrodifluoroacetamidation of Alkenes with Hantzsch Ester as a Multifunctional Reagent
  作者：Wenhao Huang、Wenxin Chen、Guoqiang Wang、Jin Li、Xu Cheng、Guigen Li

  DOI：10.1021/acscatal.6b02420

  日期：2016.11.4

  alkenes with readily available α-bromodifluoroacetamides was achieved by means of a photoreductive reaction catalyzed by the phenyl thiyl radical. A Hantzsch ester was used as the hydrogen donor and electron donor. This photoreductive pathway did not involve the oxidation of a carbon radical intermediate to a carbocation species.

  通过苯硫基自由基催化的光还原反应，用容易获得的α-溴二氟乙酰胺进行烯烃的氢二氟乙酰胺化。Hantzsch酯用作氢供体和电子供体。该光还原途径不涉及碳正离子物种中间的碳自由基的氧化。
• Amidine compounds and their use as pesticides
  申请人：——

  公开号：US20010041740A1

  公开（公告）日：2001-11-15

  The present invention provides novel amidine compounds and novel pesticides containing these amidine compounds as active ingredients. The amidine compounds are expressed by formula I: 1 wherein X and Y are the same or different and are independently halogen, nitro, cyano, or C 1 -C 6 alkyl; Z is C 1 -C 6 haloalkyl or C 1 -C 6 haloalkoxy; R 1 is hydrogen, halogen, C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, C 1 -C 6 alkoxy, C 1 -C 6 haloalkoxy, or a group of formula: S(O) n —R 5 (wherein R 5 is C 1 -C 6 alkyl or C 1 -C 6 haloalkyl; and n is 0, 1, or 2); R 2 and R 3 are the same or different and are independently halogen or C 1 -C 6 haloalkyl; and R 4 is a group of formula: NR 6 R 7 or N═CR 8 R 9 (wherein R 6 is hydrogen, C 1 -C 6 alkyl, (C 1 -C 6 alkoxy)-carbonyl, (C 1 -C 6 alkoxy) C 1 -C 6 alkyl, or C 2 -C 6 acyl; R 7 is hydrogen, C 1 -C 6 alkyl, (C 1 -C 6 alkoxy)carbonyl, or C 2 -C 6 acyl; R 8 is C 1 -C 6 alkyl or hydrogen; and R 9 is C 1 -C 6 alkoxy, C 1 -C 6 alkyl, or di(C 1 -C 6 alkyl)amino).

  本发明提供了新型胺基化合物和含有这些胺基化合物作为活性成分的新型杀虫剂。这些胺基化合物由式I表示：其中X和Y相同或不同，独立地是卤素、硝基、氰基或C1-C6烷基；Z是C1-C6卤代烷基或C1-C6卤代氧烷基；R1是氢、卤素、C1-C6烷基、C1-C6卤代烷基、C1-C6烷氧基、C1-C6卤代烷氧基，或者是一个由下式表示的基团：S(O)n—R5（其中R5是C1-C6烷基或C1-C6卤代烷基；n为0、1或2）；R2和R3相同或不同，独立地是卤素或C1-C6卤代烷基；R4是一个由下式表示的基团：NR6R7或N═CR8R9（其中R6是氢、C1-C6烷基、（C1-C6烷氧基）-羰基、（C1-C6烷氧基）C1-C6烷基或C2-C6酰基；R7是氢、C1-C6烷基、（C1-C6烷氧基）羰基或C2-C6酰基；R8是C1-C6烷基或氢；R9是C1-C6烷氧基、C1-C6烷基或二(C1-C6烷基)氨基）。