2-乙氧基苯-1-羧基硫胺 | 725702-35-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-乙氧基苯-1-羧基硫胺
• 中文别名: 2-乙氧基硫代苯甲酰胺
• 英文名称: 2-ethoxybenzothioamide
• 英文别名: 2-Ethoxybenzene-1-carbothioamide；2-ethoxybenzenecarbothioamide
• CAS: 725702-35-2
• 化学式: C₉H₁₁NOS
• mdl: MFCD06090837
• 分子量: 181.258
• InChiKey: FUQRHZQJAIHJQB-UHFFFAOYSA-N

物化性质

• 熔点：
  113-119℃
• 沸点：
  312.5±44.0 °C(Predicted)
• 密度：
  1.158±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  67.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  2-乙氧基苯-1-羧基硫胺 在 aluminum oxide 、 N-溴代丁二酰亚胺(NBS) 作用下， 反应 0.5h， 以62%的产率得到3,5-bis(2-ethoxyphenyl)-1,2,4-thiadiazole
  参考文献：
  名称：

  Solvent-Free Synthesis of 3,5-di(Hetero)Aryl-1,2,4-Thiadiazoles by Grinding of Thioamides under Oxidative Conditions

  摘要：

  在室温无溶剂条件下，通过使用 NBS 研磨硫代酰胺氧化二聚物，开发出了一种高效、简便的 3,5- 二（杂）芳基-1,2,4-噻二唑合成方法。该反应与三氟甲基、甲基、甲氧基、氯基、吡啶基和噻吩基的相容性证明了其效率。这种方法具有反应时间短、产率高的显著优势，是获取这些化合物的现有方法之外的一种更实用的替代方法。

  DOI：

  10.3184/030823410x12677120188989
• 作为产物：
  描述：

  2-乙氧基苯甲酰胺 在 劳森试剂 作用下， 以 甲苯 为溶剂， 生成 2-乙氧基苯-1-羧基硫胺
  参考文献：
  名称：

  Solvent-Free Synthesis of 3,5-di(Hetero)Aryl-1,2,4-Thiadiazoles by Grinding of Thioamides under Oxidative Conditions

  摘要：

  在室温无溶剂条件下，通过使用 NBS 研磨硫代酰胺氧化二聚物，开发出了一种高效、简便的 3,5- 二（杂）芳基-1,2,4-噻二唑合成方法。该反应与三氟甲基、甲基、甲氧基、氯基、吡啶基和噻吩基的相容性证明了其效率。这种方法具有反应时间短、产率高的显著优势，是获取这些化合物的现有方法之外的一种更实用的替代方法。

  DOI：

  10.3184/030823410x12677120188989

文献信息

• Novel β-lactam condensed 3-thiaquinolines: an efficient synthesis and structural characterization
  作者：Péter Csomós、Lajos Fodor、Gábor Bernáth、Jari Sinkkonen、Jari Salminen、Kirsti Wiinamäki、Kalevi Pihlaja

  DOI：10.1016/j.tet.2007.09.079

  日期：2008.2

  Quinoline analog 2-aryl-4H-3,1-benzothiazine derivatives 8–13, obtained by the condensation of o-aminobenzyl chloride 1 with substituted thiobenzamides 2–7, were transformed to azeto[2,1-a][3,1]benzothiazin-1-one derivatives 18–23a,b,c and 24d,e by reaction with the corresponding substituted acetyl chlorides 14–17 in the presence of triethylamine. The structures of the new molecules were determined

  喹啉模拟2-芳基-4- ħ -3,1-苯并噻嗪衍生物8 - 13，通过缩合得到ø -氨基苄基氯1与取代thiobenzamides 2 - 7，转化到azeto [2,1-一个] [3， 1]苯并噻嗪-1-酮衍生物18 – 23a，b，c和24d，e与相应的取代乙酰氯14 – 17反应在三乙胺存在下。通过NMR光谱和电子电离（EI）质谱法确定新分子的结构。典型EI +质谱的碎裂8 - 13和18 - 23A，b，c ^和24D，ê进行了详细讨论。
• PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR
  申请人：SUMITOMO CHEMICAL COMPANY LIMITED

  公开号：EP0711762A1

  公开（公告）日：1996-05-15

  There are disclosed an industrially favorable process for producing a tetrazole compound of general formula (1): characterized in that a nitrile of general formula (2):         R¹CN     (2) is reacted with hydrazine or a salt thereof in the presence of a catalyst, followed by reaction with a nitrous acid compound of general formula (3):         ANO₂     (3) or a nitrile of general formula (2) is reacted with hydrogen sulfide, followed by reaction with an alkyl halide of general formula (4):         R⁴J     (4) with hydrazine or a salt thereof, and then with a nitrous acid compound of general formula (3); and an intermediate of general formula (5):         R¹C(=R⁵)R⁶     (5) which is useful for the production of the tetrazole compound (in which R¹ to R⁶, A and J in the above formulas are as defined in the specification).

  本发明公开了一种生产通式（1）四唑化合物的工业化生产工艺： 其特征在于，通式（2）的腈： R¹CN (2) 在催化剂存在下与肼或其盐反应，然后与通式(3)的亚硝酸化合物反应： ANO₂ (3) 或通式（2）的腈与硫化氢反应，然后与通式（4）的烷基卤化物反应： R⁴J (4) 与肼或其盐反应，然后与通式（3）的亚硝酸化合物反应；以及通式（5）的中间体： R¹C(=R⁵)R⁶ (5) 其中上述式中的 R¹ 至 R⁶、A 和 J 如说明书中所定义）。
• Discovery of novel P2 substituted 4-biaryl proline inhibitors of hepatitis C virus NS3 serine protease
  作者：Murray D. Bailey、Teddy Halmos、Christopher T. Lemke

  DOI：10.1016/j.bmcl.2013.05.046

  日期：2013.8

  Inhibitors of hepatitis C virus NS3 serine protease often incorporate a large P2 moiety to interact with the surface of the enzyme while shielding part of the catalytic triad. This feature is important in many inhibitors in order to have the necessary potency needed for efficacy. In this Letter we explore some new P2 motifs to further exploit this region of the enzyme. In a continuing effort to replace the often found 4-hydroxyproline P2 core found in the majority of inhibitors for this target, various directly attached aryl derivatives were evaluated. Of these, the 2,4-disubstituted thiazole core proved to be the most interesting. SAR around this motif has lead to compounds with K-i's in the high picomolar range and provided cellular potencies in the single digit nM range. (C) 2013 Elsevier Ltd. All rights reserved.
• COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE
  申请人：Flagship Pioneering Innovations V, Inc.

  公开号：US20210289794A1

  公开（公告）日：2021-09-23

  The invention comprises methods for decreasing colonization by a bacterium of a gut of a stink bug, the method comprising providing a composition comprising vanillin or an analog thereof; and delivering said composition to an egg from which the stink bug will hatch, whereby colonization by the bacterium within the gut of the stink bug hatched from the egg treated with the composition is decreased relative to a stink bug hatched from an untreated egg. In some embodiments, the decrease in colonization by the bacterium decreases the fitness of the stink bug, e.g., decreases reproductive ability, survival, rate of development, number of eggs, number of hatched eggs, adult emergence rate, body length, body width, body mass, or cuticle thickness. In some embodiments of the methods herein, the bacterial colonization-disrupting agent is an inhibitor of bacterial metabolism. In some embodiments, the bacterial colonization-disrupting agent is a polyhydroxyalkanoate (PHA) synthesis inhibitor.
• US5874593A
  申请人：——

  公开号：US5874593A

  公开（公告）日：1999-02-23