1H-苯并[C][1,2]噻嗪-4(3H)-酮2,2-二氧化物 | 7117-28-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 中文名称: 1H-苯并[C][1,2]噻嗪-4(3H)-酮2,2-二氧化物
• 英文名称: 4-oxo-3,4-dihydro-1H-2λ⁶,1-benzothiazine-2,2-dione
• 英文别名: 2,2-dioxo-2,3-dihydro-1H-2λ⁶-benzo[c][1,2]thiazin-4-one；3H-Benzo<2.1>thiazin-4-on-2,2-dioxid；4-Oxo-3,4-dihydro-1H-2,1-benzothiazin-2,2-dioxid；3,4-Dihydro-1H-2,1-benzothiazin-4-on-2,2-dioxid；1H-benzo[c][1,2]thiazin-4(3H)-one 2,2-dioxide；2,2-dioxo-1H-2λ6,1-benzothiazin-4-one
• CAS: 7117-28-4
• 化学式: C₈H₇NO₃S
• 分子量: 197.214
• InChiKey: SVNSPVBUFSWFTG-UHFFFAOYSA-N

物化性质

• 熔点：
  190-191 °C
• 沸点：
  383.1±45.0 °C(Predicted)
• 密度：
  1.456±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  71.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1H-苯并[C][1,2]噻嗪-4(3H)-酮2,2-二氧化物 在 palladium on activated charcoal 氢气 作用下， 以 溶剂黄146 为溶剂， 110.0 ℃ 、13.79 MPa 条件下， 反应 4.0h， 生成 octahydro-benzo[c][1,2]thiazine 2,2-dioxide
  参考文献：
  名称：

  Loev,B.; Snader,K.M., Journal of Heterocyclic Chemistry, 1967, vol. 4, p. 403 - 406

  摘要：

  DOI：
• 作为产物：
  描述：

  4-hydroxy-2,2-dioxo-1H-2λ6,1-benzothiazine-3-carboxylic acid ethyl ester 在 potassium hydroxide 作用下， 以 水 为溶剂， 反应 0.33h， 以91%的产率得到1H-苯并[C][1,2]噻嗪-4(3H)-酮2,2-二氧化物
  参考文献：
  名称：

  2,1-Benzothiazine 2,2-Dioxides. 5*. Hydrolysis of Alkyl 1-R-4-Hydroxy-2,2-Dioxo-1Н-2λ6,1-Benzo-Thiazine-3-Carboxylates**

  摘要：

  Hydrolysis of 1-R-4-hydroxy-2,2-dioxo-1De-2 lambda(6),1-benzothiazine-3-carboxylate esters in HCl-AcOH-H2O mixture at 60A degrees D was accompanied by decarboxylation and led to 1-R-4-oxo-3,4-dihydro-1H-2 lambda(6),1-benzo-thiazine-2,2-diones. In the alkaline medium, regardless of the type of the substituent at position 1, analogous structural transformations occurred at first, but the thiazine ring was also destroyed along with the ester fragment when performing the reaction for a longer time.

  DOI：

  10.1007/s10593-014-1563-7

文献信息

• Novel benzothiazine dyes for imaging elements
  申请人：Eastman Kodak Company

  公开号：US20030192138A1

  公开（公告）日：2003-10-16

  This relates to a dye represented by Formulae II and IIA below: 1 wherein; R 1 represents a hydrogen, an aryl group containing 6 to 14 carbon atoms, or an alkyl group containing 1 to 12 carbon atoms; R 2 and R 3 together form an aromatic, carbocyclic or heterocyclic ring system containing 6 to 14 atoms; X represents a sulfoxide (S═O), sulfone (SO 2 ), or dicyanovinyl (C(CN) 2 ) group; Y represents a sulfoxide (S═O), sulfone (SO 2 ), carbonyl (C═O) or dicyanovinyl (C(CN) 2 ) group; L 1 , L 2 , and L 3 represent methine groups, wherein the methine groups may combine to form a 5- or 6-membered ring when m is equal to or >1; m is 0, 1, 2, or 3; W is an aryl group; and D is a moiety in conjugation with the X and Y groups.

  这与以下式II和IIA所代表的染料有关：1其中，R1代表氢、含有6到14个碳原子的芳基基团或含有1到12个碳原子的烷基基团；R2和R3一起形成含有6到14个原子的芳香族、环烷或杂环环系；X代表亚砜（S═O）、磺酰基（SO2）或二氰乙烯基（C(CN)2）基团；Y代表亚砜（S═O）、磺酰基（SO2）、羰基（C═O）或二氰乙烯基（C(CN)2）基团；L1、L2和L3代表亚甲基基团，其中亚甲基基团可以结合形成5-或6-成员环，当m等于或大于1时；m为0、1、2或3；W为芳基基团；D是与X和Y基团共轭的基团。
• Polymethine and azomethine dyes for imaging elements
  申请人：EASTMAN KODAK COMPANY

  公开号：EP1334999A2

  公开（公告）日：2003-08-13

  This relates to a dye represented by Formulae II and IIA below: wherein;    R1 represents a hydrogen, an aryl group containing 6 to 14 carbon atoms, or an alkyl group containing 1 to 12 carbon atoms;    R2 and R3 together form an aromatic, carbocyclic or heterocyclic ring system containing 6 to 14 atoms;    X represents a sulfoxide (S=O), sulfone (SO2), or dicyanovinyl (C(CN)2) group;    Y represents a sulfoxide (S=O), sulfone (SO2), carbonyl (C=O) or dicyanovinyl (C(CN)2) group;    L1, L2, and L3 represent methine groups, wherein the methine groups may combine to form a 5- or 6-membered ring when m is equal to or >1;    m is 0, 1, 2, or 3;    W is an aryl group; and    D is a moiety in conjugation with the X and Y groups.

  这涉及到下式 II 和 IIA 所代表的染料： 其中 R1 代表氢、含 6 至 14 个碳原子的芳基或含 1 至 12 个碳原子的烷基； R2 和 R3 共同形成含 6 至 14 个原子的芳环、碳环或杂环系统； X 代表亚砜（S=O）、砜（SO2）或二氰基乙烯基（C(CN)2）； Y 代表亚砜 (S=O)、砜 (SO2)、羰基 (C=O) 或双氰基乙烯基 (C(CN)2) 基团； L1、L2 和 L3 代表甲基，其中当 m 等于或大于 1 时，甲基可结合形成 5 或 6 元环； m 为 0、1、2 或 3； W 是芳基；以及 D 是与 X 和 Y 基团共轭的分子。
• Benzosultams and analogues and their use as fungicides
  申请人：Bayer CropScience Aktiengesellschaft

  公开号：US10736321B2

  公开（公告）日：2020-08-11

  The present disclosure relates to fungicidal active compounds, more specifically to benzosultams and analogues thereof, processes and, intermediates for their preparation and use thereof as fungicidal active compound, particularly in the form of fungicide compositions. The present disclosure also relates to methods for the control of phytopathogenic fungi of plants using these compounds or compositions comprising thereof.

  本公开涉及杀真菌活性化合物，更具体地说，涉及苯并磺胺及其类似物、制备它们的工艺和中间体以及将其用作杀真菌活性化合物，特别是以杀真菌剂组合物的形式使用。本公开还涉及使用这些化合物或包含这些化合物的组合物控制植物的植物病原真菌的方法。
• [EN] BENZO-CONDENSED RING COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR AND USE THEREOF<br/>[FR] COMPOSÉ CYCLIQUE BENZOCONDENSÉ, COMPOSITION PHARMACEUTIQUE LE COMPRENANT, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION<br/>[ZH] 苯并稠环化合物、包含其的药物组合物及其制备方法和用途
  申请人：[en]SUZHOU GENHOUSE BIO CO., LTD.;[zh]勤浩医药（苏州）有限公司

  公开号：WO2022222856A1

  公开（公告）日：2022-10-27

  式(I)的苯并稠环化合物、包含其的药物组合物及其制备方法和作为HDAC6抑制剂的用途。
• Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：US20160195532A1

  公开（公告）日：2016-07-07

  Covalent, irreversible small-molecule inhibitors that modify the sulfenyl form (i.e., sulfenic acid, RSOH and sulfenamide, RSNR′2) of therapeutically important proteins (particularly kinases and phosphatases) are disclosed, where the compositions include a compound having a substituted aryl or heterocyclic core structure that promotes binding interactions with a specific protein, and a nucleophilic reaction center (carbon, nitrogen, sulfur, or phosphorous) that is capable of forming a covalent bond with a sulfenic acid- or sulfenamide-modified cysteine residue in the protein. Methods for synthesizing these compounds are also disclosed, as well as methods of using them for determining the bioactivity of a chemical composition comprising an active compound toward a specific protein and for determining the potency of an inhibitor against a specific protein.