2-羟基硫代苯甲酰胺 | 7133-90-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-羟基硫代苯甲酰胺
• 英文名称: 2-hydroxythiobenzamide
• 英文别名: 2-hydroxybenzothioamide；2-hydroxybenzenecarbothioamide
• CAS: 7133-90-6
• 化学式: C₇H₇NOS
• mdl: MFCD01684561
• 分子量: 153.205
• InChiKey: JFYIBFCXQUDFQE-UHFFFAOYSA-N

物化性质

• 熔点：
  119 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险类别码：
  R36/37/38
• 海关编码：
  2930909090
• 安全说明：
  S26,S36/37/39
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  2-羟基硫代苯甲酰胺 在 水 、 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 2-(o-Hydroxyphenyl)-thiazol-4-carbonsaeure
  参考文献：
  名称：

  A highly selective fluorescent turn-on probe for Al3+ via Al3+-promoted hydrolysis of ester

  摘要：

  A new reactive and highly selective fluorescent chemosensor (1) based on thiazole was synthesized for the quantification of aluminum ions in ethanol. The mechanism of fluorescence was based on the aluminum-promoted hydrolysis of the ester moiety and subsequent complexation. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.05.062
• 作为产物：
  描述：

  6,6'-(1,2,4-Dithiazolidin-3,5-yliden)-bis-2,4-cyclohexadien-1-on 以 various solvent(s) 为溶剂， 生成 2-羟基硫代苯甲酰胺
  参考文献：
  名称：

  Wagner, Guenther; Briel, Detlef; Leistner, Siegfried, Zeitschrift fur Chemie, 1981, vol. 21, # 7, p. 261

  摘要：

  DOI：

文献信息

• Synthesis and Antimicrobial Evaluation of Some New 4,5′-Bisthiazoles
  作者：Tibor Rozsa、Mihaela Duma、Laurian Vlase、Ioana Ionuţ、Adrian Pîrnău、Brînduşa Tiperciuc、Ovidiu Oniga

  DOI：10.1002/jhet.2054

  日期：2015.7

  bisthiazole derivatives represent a prevalent scaffold in the antimicrobial drug discovery. Therefore, we have decided to synthesize some new series of 4,5′‐bisthiazoles. A total of 17 compounds were synthesized, their structural elucidation being based on elemental analysis (C,H,N,S) and spectroscopic data (MS and 1H NMR). Their in vitro antimicrobial activities were assessed against several Gram‐positive

  噻唑和联噻唑衍生物代表了抗菌药物发现中的普遍支架。因此，我们决定合成一些新的4,5'-双噻唑系列。总共合成了17种化合物，其结构解析基于元素分析（C，H，N，S）和光谱数据（MS和1 H NMR）。使用分光光度法评估了它们对几种革兰氏阳性和革兰氏阴性细菌菌株以及一种真菌菌株（白色念珠菌）的体外抗菌活性。一些化合物对革兰氏阴性大肠杆菌，鼠伤寒沙门氏菌和革兰氏阳性菌表现出中等至良好的抗菌活性。金黄色葡萄球菌和蜡状芽孢杆菌菌株。所有合成的化合物对白念珠菌均具有中度到很好的抑菌活性。
• [EN] ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS<br/>[FR] COMPOSÉS CIBLANT DES RÉCEPTEURS HORMONAUX NUCLÉAIRES ANTICANCÉREUX
  申请人：NUVATION BIO INC

  公开号：WO2020232119A1

  公开（公告）日：2020-11-19

  The disclosure relates to anti-cancer compounds derived from nuclear steroid receptor binders, to products containing the same, as well as to methods of their use and preparation.

  该披露涉及从核类固醇受体结合物中衍生的抗癌化合物，以及含有这些化合物的产品，以及它们的使用和制备方法。
• 7-substituted-amino-3-substituted-3-cephem-4-carboxylic acids
  申请人：Eli Lilly and Company

  公开号：US05525599A1

  公开（公告）日：1996-06-11

  The invention provides compounds of the formula ##STR1## wherein X is CH.sub.2, S or O; R.sub.1 is a 3 position substituent such as hydrogen, hydroxy, halo, trifluoromethyl, C.sub.2 F.sub.5, C.sub.1 -C.sub.6 alkyl, C.sub.1 -C.sub.6 substituted alkyl, C.sub.1 -C.sub.6 alkenyl, C.sub.1 -C.sub.6 alkynyl, CH.sub.2 O(CO)R', CH.sub.2 O(CO)NH.sub.2, CO.sub.2 R', thio(C.sub.1 -C.sub.6)alkyl, thio(C.sub.1 C.sub.6)alkenyl, oxo(C.sub.1 -C.sub.6)alkyl, phosphine oxide, quaternary ammonium group, substituted or unsubstituted thiazolothio, or oxo(C.sub.1 -C.sub.6)alkenyl; wherein R' is hydrogen, C.sub.1 -C.sub.6 alkyl, or C.sub.1 -C.sub.6 alkenyl; R.sub.2 is hydrogen or a carboxy protecting group; R.sub.3 is ##STR2## (CH.sub.2).sub.n ; wherein R.sub.6 is hydrogen Me, CH.sub.2 F, CF.sub.3, C.sub.2 H.sub.5, CH.sub.2 CH.sub.2 F, CH.sub.2 CF.sub.3, C.sub.2 F.sub.5, CH.sub.2 CO.sub.2 R', CH.sub.2 CONH.sub.2, C(Me).sub.2 CO.sub.2 R', or C(Me).sub.2 CONH.sub.2 ; and n is 0-5; R.sub.4 is ##STR3## wherein Z is O, S, NH, or CH.sub.2 ; Y is CH or N; and R.sub.7 is hydrogen, C.sub.1 -C.sub.6 alkyl, CONH.sub.2, or CO.sub.2 R'; and R.sub.5 is ##STR4## wherein R.sub.8 is CH, N, COH, CO(C.sub.1 -C.sub.6 alkyl) CSH, or CNH.sub.2 ; and R.sub.9 is R.sub.8 as defined; said R.sub.5 optionally substituted 1-4 times with halo, OH, SH, NH.sub.2, NO.sub.2, CH.sub.3, C.sub.2 H.sub.5, CO.sub.2 R', CONH.sub.2, SO.sub.3 H, or SO.sub.2 NHR'; and salts thereof. Also, pharmaceutical formulations and methods for treating bacterial infections in man or other animals using the above compounds are disclosed.

  该发明提供了以下结构的化合物：其中X为CH₂、S或O；R₁为3位取代基，如氢、羟基、卤素、三氟甲基、C₂F₅、C₁-C₆烷基、C₁-C₆取代烷基、C₁-C₆烯基、C₁-C₆炔基、CH₂O(CO)R'、CH₂O(CO)NH₂、CO₂R'、硫代(C₁-C₆)烷基、硫代(C₁-C₆)烯基、氧代(C₁-C₆)烷基、膦氧化物、季铵基团、取代或未取代噻唑硫、或氧代(C₁-C₆)烯基；其中R'为氢、C₁-C₆烷基或C₁-C₆烯基；R₂为氢或羧基保护基；R₃为(CH₂)n；其中R₆为氢、甲基、CH₂F、CF₃、C₂H₅、CH₂CH₂F、CH₂CF₃、C₂F₅、CH₂CO₂R'、CH₂CONH₂、C(Me)₂CO₂R'或C(Me)₂CONH₂；n为0-5；R₄为；其中Z为O、S、NH或CH₂；Y为CH或N；R₇为氢、C₁-C₆烷基、CONH₂或CO₂R'；R₅为；其中R₈为CH、N、COH、CO(C₁-C₆烷基)、CSH或CNH₂；R₉为所定义的R₈；所述的R₅可选择地1-4次取代为卤素、OH、SH、NH₂、NO₂、CH₃、C₂H₅、CO₂R'、CONH₂、SO₃H或SO₂NHR'；及其盐。此外，还公开了利用上述化合物治疗人类或其他动物的细菌感染的药物配方和方法。
• Modular synthesis of thiazoline and thiazole derivatives by using a cascade protocol
  作者：Zakeyah A. Alsharif、Mohammad A. Alam

  DOI：10.1039/c7ra05993k

  日期：——

  natural products, a number of drugs, and many useful molecules such as ligands for metal catalysis. We report the first common synthetic protocol for the synthesis of thiazoles and thiazolines. Novel molecules are efficiently synthesized by using readily available and inexpensive substrates. The reaction conditions are mild and pure products are obtained without work-up and column purification.

  噻唑啉和噻唑是许多天然产物，许多药物和许多有用的分子（例如用于金属催化的配体）的组成部分。我们报告了噻唑和噻唑啉合成的第一个通用的合成方案。通过使用容易获得且便宜的底物，可以有效地合成新型分子。反应条件温和，无需后处理和柱纯化即可得到纯净产物。
• The reaction of nitriles with O,O-dialkyldithiophosphoric acids
  作者：N.M. Yousif

  DOI：10.1016/s0040-4020(01)89095-5

  日期：——

  Nitriles react with dialkyldithiophosphoric acids a-c to give a mixture of corresponding thioamides and O,O-dialkyl-N-thioaceyl-phosphoroamidothioates a-e. The structure of compounds are elucidated chemically and from electronic spectra. The yield of thioamides are improved from the reaction of nitriles with compound b in presence of water. Mechanistic consideration on the formation of the products

  腈与二烷基二硫代磷酸ac反应，得到相应的硫代酰胺和O，O-二烷基-N-硫代乙酰基-磷酰氨基硫醇盐ae的混合物。化合物的结构通过化学和电子光谱得以阐明。在水的存在下，腈与化合物b的反应可提高硫酰胺的收率。讨论了有关产品形成的机械考虑。