4-(二氟甲氧基)苯磺酰胺 | 874781-09-6

• 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: 4-(二氟甲氧基)苯磺酰胺
• 中文别名: 对二氟甲氧基苯磺酰胺；4-二氟甲氧基苯磺酰胺
• 英文名称: 4-(difluoromethoxy)benzenesulfonamide
• CAS: 874781-09-6
• 化学式: C₇H₇F₂NO₃S
• 分子量: 223.2
• InChiKey: BBBQHNZWCPUJNW-UHFFFAOYSA-N

物化性质

• 熔点：
  110.0 to 115.0 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  77.8
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 海关编码：
  2935009090
• 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：

  4-(二氟甲氧基)苯磺酰胺 在 四氯化钛 、 一水合肼 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 甲苯 为溶剂， 生成 4-(2-Bromo-3-fluorophenyl)-5-[4-(difluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,3-c]pyridine
  参考文献：
  名称：

  Discovery of a novel [3.2.1] benzo fused bicyclic sulfonamide-pyrazoles as potent, selective and efficacious γ-secretase inhibitors

  摘要：

  Structure-activity relationship (SAR) of a novel, potent and metabolically stable series of benzo [3.2.1] bicyclic sulfonamide-pyrazoles as gamma-secretase inhibitors are described. Compounds that are efficacious in reducing the cortical A beta x-40 levels in FVB mice via oral dose, as well as those with high selectivity over Notch, are highlighted. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.12.039

文献信息

• Tricyclic compounds
  申请人：——

  公开号：US20030216571A1

  公开（公告）日：2003-11-20

  The present invention is to provide novel tricyclic compounds having leukotriene antagonistic action and represented by the formula: 1 wherein R 1 represents a halogen atom, etc., R 2 represents a nitro group, etc., A represents a 5-membered or a 6-membered heteroaromatic ring group containing 1 to 3 hetero atoms selected from the group consisting of a nitrogen atom, an oxygen atom and a sulfur atom, etc., B represents a formula: —OCH 2 —, etc., X represents a sulfur atom, etc., Y represents C 1 -C 10 alkylene group which may have a halogen atom, etc. as a substituent(s), Z represents a carboxyl group whic may be protected, etc., represents a single bond or a double bond, m is an integer of 1 to 4, n is an integer of 1 to 3, or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有白三烯拮抗作用的新颖三环化合物，该化合物由下式表示： 1 其中R 1 代表卤素原子等，R 2 代表硝基等，A代表含1至3个杂原子的5元或6元杂芳环基团，杂原子选自由氮原子、氧原子和硫原子等组成的组，B代表公式：—OCH 2 —等，X代表硫原子等，Y代表C 1 -C 10 的烷基链，该烷基链可作为取代基，Z代表可能被保护的羧基等， 代表单键或双键， m是1至4的整数，n是1至3的整数，或其药用可接受的盐。
• Dibenzocycloheptene compound
  申请人：——

  公开号：US20040180884A1

  公开（公告）日：2004-09-16

  The present invention discloses a dibenzocycloheptene compound represented by the formula (I): 1 wherein R 1 : hydrogen atom, halogen atom, etc., R 2 hydrogen atom, halogen atom, etc., A: 5-membered or 6-membered heteroaromatic ring group containing 1 to 3 hetero atom(s) selected from the group consisting of nitrogen atom, oxygen atom and sulfur atom, and the heteroaromatic ring group, etc. may have halogen atom, nitrogen atom, etc. as substituent(s),.B: formula; —CH═CH—, formula; —CH 2 O—, etc., Y: C 1 -C 10 alkylene group which may have halogen atom, etc. as substituent(s), etc., Z: carboxyl group which may be protected, etc., m: an integer of 1 to 4, n: an integer of 1 to 3, represents a single bond or a double bond, or a pharmaceutically acceptable salt thereof and a medical composition containing the same as an effective ingredient which has leukotriene C 4 antagonistic action and leukotriene E 4 antagonistic action in addition to potent leukotriene D 4 antagonistic action, and useful as antiasthmatic agent, antiallergic agent and anti-inflammatory agent.

  本发明揭示了一种由式(I)表示的二苯并环庚烯化合物：1其中，R1：氢原子、卤素原子等；R2：氢原子、卤素原子等；A：5-或6-成员的杂芳环基团，包含从氮原子、氧原子和硫原子组成的1至3个杂原子，所述杂芳环基团等可以具有卤素原子、氮原子等作为取代基；B：式；-CH═CH-，式；-CH2O-等；Y：C1-C10烷基，可以具有卤素原子等作为取代基；Z：羧基，可以被保护等；m：1至4的整数，n：1至3的整数；表示单键或双键，或其药学上可接受的盐，以及含有其作为有效成分的医药组合物，具有白三烯C4拮抗作用和白三烯E4拮抗作用，除了强大的白三烯D4拮抗作用外，还可作为抗哮喘剂、抗过敏剂和抗炎剂。
• Synthesis of Sulfilimines via Multicomponent Reaction of Arynes, Sulfamides, and Thiosulfonates
  作者：Pei Xie、Yating Zheng、Yuping Luo、Jinyun Luo、Leifang Wu、Zhihua Cai、Lin He

  DOI：10.1021/acs.orglett.3c02217

  日期：2023.8.25

  In this work, a facile and efficient method for the synthesis of sulfilimines through multicomponent reaction of arynes, sulfamides, and thiosulfonates was developed. A variety of structurally diverse substrates and functional groups were very compatible in the reaction, giving the corresponding sulfilimines in good to high yields. This protocol could be conducted on a gram scale, and the product was

  在这项工作中，开发了一种通过芳炔、磺酰胺和硫代磺酸盐的多组分反应合成硫亚胺的简便有效的方法。各种结构多样的底物和官能团在反应中非常相容，从而以良好到高的产率产生相应的硫亚胺。该方案可以在克规模上进行，并且产物很容易转化为硫化物和亚砜亚胺。机理研究表明，原位生成的次磺酰胺是该反应的关键中间体。
• TRICYCLIC COMPOUNDS
  申请人：Ube Industries, Ltd.

  公开号：EP1254897A1

  公开（公告）日：2002-11-06

  The present invention is to provide novel tricyclic compounds having leukotriene antagonistic action and represented by the formula:    wherein R1 represents a halogen atom, etc., R2 represents a nitro group, etc., A represents a 5-membered or a 6-membered heteroaromatic ring group containing 1 to 3 hetero atoms selected from the group consisting of a nitrogen atom, an oxygen atom and a sulfur atom, etc., B represents a formula: -OCH2-, etc., X represents a sulfur atom, etc., Y represents C1-C10 alkylene group which may have a halogen atom, etc. as a substituent(s), Z represents a carboxyl group whic may be protected, etc., ------ represents a single bond or a double bond,    m is an integer of 1 to 4, n is an integer of 1 to 3, or a pharmaceutically acceptable salt thereof.

  本发明旨在提供具有白三烯拮抗作用并由式表示的新型三环化合物： 其中R1代表卤原子等，R2代表硝基等，A代表5元或6元杂芳环基团，其中含有1至3个选自氮原子、氧原子和硫原子等组成的杂原子，B代表式：X代表硫原子等，Y代表C1-C10亚烷基，可带有卤素原子等作为取代基，Z代表可被保护的羧基等，------ 代表单键或双键、 m 是 1 到 4 的整数，n 是 1 到 3 的整数、 或其药学上可接受的盐。
• DIBENZOCYCLOHEPTENE COMPOUND
  申请人：Ube Industries, Ltd.

  公开号：EP1408033A1

  公开（公告）日：2004-04-14

  The present invention discloses a dibenzocycloheptene compound represented by the formula (I):    wherein R1: hydrogen atom, halogen atom, etc., R2: hydrogen atom, halogen atom, etc., A: 5-membered or 6-membered heteroaromatic ring group containing 1 to 3 hetero atom(s) selected from the group consisting of nitrogen atom, oxygen atom and sulfur atom, and the heteroaromatic ring group, etc. may have halogen atom, nitrogen atom, etc. as substituent(s), B: formula; -CH=CH-, formula; -CH2O-, etc., Y: C1-C10 alkylene group which may have halogen atom, etc. as substituent(s), etc., Z: carboxyl group which may be protected, etc., m: an integer of 1 to 4, n: an integer of 1 to 3,    ------ represents a single bond or a double bond, or a pharmaceutically acceptable salt thereof and a medical composition containing the same as an effective ingredient which has leukotriene C4 antagonistic action and leukotriene E4 antagonistic action in addition to potent leukotriene D4 antagonistic action, and useful as antiasthmatic agent, antiallergic agent and anti-inflammatory agent.

  本发明公开了一种由式（I）表示的二苯并环庚烯化合物： 其中 R1：氢原子、卤素原子等；R2：氢原子、卤素原子等；A：5 元或 6 元杂芳环基团，含有 1 至 3 个选自氮原子、氧原子和硫原子组成的杂原子，且该杂芳环基团等可具有卤素原子、氮原子等作为取代基；B：式中；-CH=CH-、式中；-CH2O-等、Y：C1-C10 亚烷基，可有卤素原子等作为取代基等，Z：羧基，可被保护等，m：1 至 4 的整数，n：1 至 3 的整数、 ------ 代表单键或双键、 或其药学上可接受的盐，以及以其为有效成分的医用组合物，该组合物除具有强效的白三烯 D4 拮抗作用外，还具有白三烯 C4 拮抗作用和白三烯 E4 拮抗作用，可用作抗哮喘剂、抗过敏剂和抗炎剂。