1,1-二氟-N-苯基甲磺酰胺 | 658-43-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,1-二氟-N-苯基甲磺酰胺
• 英文名称: difluoromethanesulfonanilide
• 英文别名: 1,1-Difluor-N-phenyl-methansulfonamid；Difluormethansulfonsaeure-anilid；1,1-Difluoro-N-phenylmethanesulfonamide
• CAS: 658-43-5
• 化学式: C₇H₇F₂NO₂S
• 分子量: 207.201
• InChiKey: UUMQZWFFKCJTJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  氟里昂-22 、 苯胺 生成 1,1-二氟-N-苯基甲磺酰胺
  参考文献：
  名称：

  611.卤代甲烷和乙烷磺酸的芳酰胺

  摘要：

  DOI：

  10.1039/jr9600003058

文献信息

• A new synthesis of difluoromethanesulfonamides–a novel pharmacophore for carbonic anhydrase inhibition
  作者：Nicholas A. Boyle、W. Richard Chegwidden、G. Michael Blackburn

  DOI：10.1039/b416642f

  日期：——

  Preparation of the key intermediate carboxydifluoromethanesulfonamide provides direct synthetic access to a wide range of novel difluoromethanesulfonamides, including the acetazolamide analogue (2-ethanoylamino-1,3,4-thiadiazol-5-yl)-difluoromethanesulfonamide. Their water solubility and stability, ether partition coefficient, pKa and submicromolar dissociation constants for human carbonic anhydrase isozyme II (HCA II) make them promising candidates for topical glaucoma therapy.

  制备关键的二氟甲烷磺酰胺的中间体，可直接合成一系列新型二氟甲烷磺酰胺，包括乙酰唑胺类似物（2-乙酰氨基-1,3,4-噻二唑-5-基）-二氟甲烷磺酰胺。它们的水溶性、稳定性、乙醚分配系数、pKa值和亚微摩尔解离常数对于人类碳酸酐酶同工酶II（HCA II）来说，使其成为局部青光眼治疗的有前景的候选药物。
• Process for the Preparation of Phenyl 2-Pyrimidinyl Ketones and Their Novel Intermediates
  申请人：Araki Koichi

  公开号：US20080004444A1

  公开（公告）日：2008-01-03

  A process for the preparation of the compounds of the formula (I), or salts thereof, wherein R represents a hydrogen atom or difluoromethanesulfonyl, characterized in that compounds of the formula (II), or salts thereof, wherein R has the same definition as aforementioned, and n represents 0 or 1, are reacted in the presence of hydrogen peroxide and acetic acid.

  一种制备式(I)化合物或其盐的方法，其中R代表氢原子或二氟甲磺酰基，其特征在于在过氧化氢和乙酸的存在下，式(II)化合物或其盐被反应，其中R具有与上述相同的定义，n代表0或1。
• GRANULAR AGRICULTURAL-CHEMICAL COMPOSITION
  申请人：KUMIAI CHEMICAL INDUSTRY CO., LTD.

  公开号：EP1498030A1

  公开（公告）日：2005-01-19

  Provided is a granular agrochemical composition by which the problems accompanying the prior art granular agrochemical compositions can be overcome, which can be prepared in a simple formulation and by which sustained releasability of the agrochemically active ingredient is obtained so that the load on the environments can be decreased and the chemical damages caused by the agrochemically active ingredient can be alleviated or prevented. The granular agrochemical composition contains an acidic agrochemically active ingredient, a cationic surfactant and a basic substance. Inter alia, a pH of 5 or higher is obtained in a 1% by mass aqueous suspension thereof. Preferably, the acidic agrochemically active ingredient should have a pKa of 2 to 7 and the cationic surfactant should be one which is gelled or exhibits swellability in water.

  本发明提供了一种颗粒状农用化学品组合物，通过该组合物可以克服现有技术颗粒状农用化学品组合物所存在的问题，该组合物可以用简单的配方制备，并且可以获得农用化学品活性成分的持续释放性，从而降低对环境的负荷，减轻或防止农用化学品活性成分所造成的化学损害。颗粒状农用化学品组合物含有一种酸性农用化学品活性成分、一种阳离子表面活性剂和一种碱性物质。其中，在质量分数为 1%的水悬浮液中，pH 值为 5 或更高。酸性农用化学品活性成分的 pKa 值最好为 2 至 7，阳离子表面活性剂最好是在水中呈胶状或具有溶胀性的表面活性剂。
• AGRICULTURAL CHEMICAL COMPOSITION
  申请人：KUMIAI CHEMICAL INDUSTRY CO., LTD.

  公开号：EP1776863A1

  公开（公告）日：2007-04-25

  An agricultural chemical composition which enables a wide range of herbicidal compounds including ones showing phytotoxicity to crop plants, etc. upon mere application to exhibit a sufficient herbicidal effect and to show reduced or no phytotoxicity to the crop plants. The agricultural chemical composition comprises (A) a herbicidal compound selected from the group consisting of sulfonylurea compounds, sulfonamide compounds, chloroacetanilide compounds, thiocarbamate compounds, pyrimidin-yloxy(thio)benzoic acid compounds, tetrazolinone compounds, pyrazole compounds, cyclohexanedione compounds, phenoxycarboxylic acid compounds, oxazinone compounds, and difluoromethanesulfonylanilide compounds or salts thereof and (B) a compound selected among benzoic acid compounds.

  一种农用化学组合物，它能使多种除草化合物，包括对作物植物有植物毒性的化合物等，在仅仅施用时就能显示出足够的除草效果，并减少或不显示对作物植物的植物毒性。(B) 选自苯甲酸化合物的一种化合物。
• COMPOSITION FOR WEEDING
  申请人：Kumiai Chemical Industry CO., LTD.

  公开号：EP2189061A1

  公开（公告）日：2010-05-26

  A mixed composition for weeding useful as a herbicide which is effective against a wide spectrum of weeds, is highly active, has excellent residual activity, and is highly safe for useful plants. It is characterized by containing as an active ingredient a combination of (A) a compound selected among a difluoromethanesulfonylanilide compound represented by the general formula (I): (wherein R1 is hydrogen, C1-6 alkyl, or C2-6 alkoxyalkyl) and salts of the compound and (B) at least one member selected among herbicidal aromatic-ring-containing compounds, e.g., indanofan, and herbicidal nitrogenous heterocyclic compounds, e.g., TH-547, nicosulfuron, Flutiacet-methyl, and atrazine.

  一种除草用混合组合物，可用作除草剂，它对多种杂草有效，活性高，残留活性好，对有用植物高度安全。其特征在于，作为活性成分，该组合物含有 (A) 由通式(I)表示的二氟甲磺酰基苯胺化合物中选出的一种化合物： (其中 R1 为氢、C1-6 烷基或 C2-6 烷氧基烷基）和该化合物的盐以及 (B) 至少一种选自含芳香环的除草化合物（如茚满泛）和含氮杂环除草化合物（如 TH-547、烟嘧磺隆、氟噻草胺和莠去津）的成员。