4-乙氧基硫代苯甲酰胺 | 57774-79-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-乙氧基硫代苯甲酰胺
• 中文别名: 对乙氧基硫代苯甲酰胺；4-乙氧硫代苯甲酰胺
• 英文名称: 4-Ethoxythiobenzamid
• 英文别名: 4-ethoxy-thiobenzoic acid amide；4-Aethoxy-thiobenzoesaeure-amid；4-Aethoxy-thiobenzamid；4-ethoxythiobenzamide；4-Ethoxyphenylthioamid；4-ethoxybenzenecarboximidothioic acid
• CAS: 57774-79-5
• 化学式: C₉H₁₁NOS
• mdl: MFCD04629622
• 分子量: 181.258
• InChiKey: AREJPGXIKMXBIQ-UHFFFAOYSA-N

物化性质

• 熔点：
  160-164°C
• 沸点：
  302.5±44.0 °C(Predicted)
• 密度：
  1.158±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  常温常压下稳定，避免接触氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 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
• 储存条件：
  请将通风干燥处保存存储在适宜的环境中。

反应信息

• 作为反应物：
  描述：

  4-乙氧基硫代苯甲酰胺 在 乙醇 、 硝酸 、 sodium acetate 作用下， 生成 2-(4-ethoxy-3-nitro-phenyl)-thiazole
  参考文献：
  名称：

  Aminophenyl Oxazoles and Thiazoles

  摘要：

  DOI：

  10.1021/ja01290a045
• 作为产物：
  描述：

  对乙氧基苯腈 在 乙醇 、 氨 作用下， 生成 4-乙氧基硫代苯甲酰胺
  参考文献：
  名称：

  Aminophenyl Oxazoles and Thiazoles

  摘要：

  DOI：

  10.1021/ja01290a045

文献信息

• 4-hydroxythiazoles as 5-lipoxygenase inhibitors
  申请人：Abbott Laboratories

  公开号：US05124342A1

  公开（公告）日：1992-06-23

  A composition for the inhibition of lipoxygenase enzymes comprising a pharmaceutically acceptable carrier and a compound of the formula: ##STR1## wherein R.sub.1 and R.sub.2 are independently selected from the group consisting of alkyl, alkenyl, cycloalkyl, cycloalkenyl, aryl, arylalkyl, arylalkenyl, reduced heteroaryl, and reduced heteroarylalkyl and substituted derivatives thereof having one or more substituents independently selected from the group consisting of halogen, alkyl, halosubstituted alkyl, aryl, arylalkyl, reduced heteroaryl, arylalkoxy, cyano, nitro, COR.sub.4, SO.sub.2 R.sub.4, NR.sub.5 R.sub.6, OR.sub.6, COCX.sub.1 X.sub.2 NR.sub.6 R.sub.7, CON(OH)R.sub.6, NR.sub.6 COR.sub.4, CR.sub.5 (NH.sub.2)CO.sub.2 R.sub.5, NHCX.sub.1 X.sub.2 CO.sub.2 R.sub.5, N(OH)CONR.sub.5 R.sub.6, N(OH)COR.sub.4, NHCONR.sub.5 R.sub.6, C(NOH)NHOH and CONHNR.sub.5 R.sub.6 ; R.sub.3 is selected from the group consisting of hydrogen, a pharmaceutically acceptable salt, COR.sub.4, COCX.sub.1 X.sub.2 NR.sub.6 R.sub.7, CR.sub.8 R.sub.9 OR.sub.10, CH.sub.2 CR.sub.8 (OR.sub.10)CH.sub.2 OR.sub.11 and SiR.sub.12 R.sub.13 R.sub.14 ; R.sub.4 is selected from the group consisting of hydrogen, alkyl, alkenyl, cycloalkyl, cycloalkenyl, aryl, arylalkyl, reduced heteroaryl, reduced heteroarylalkyl, OR.sub.5, NHCX.sub.1 X.sub.2 CO.sub.2 R.sub.5 and NR.sub.6 R.sub.7 ; R.sub.5 is selected from the group consisting of hydrogen, alkyl, alkenyl, cycloalkyl, aryl, arylalkyl, reduced heteroaryl, and reduced heteroarylalkyl; R.sub.6 and R.sub.7 are independently selected from the group consisting of hydrogen, alkyl, alkenyl, cycloalkyl, aryl, arylalkyl, reduced heteroaryl, reduced heteroarylalkyl and (CH.sub.2).sub.n OR.sub.5 where n is 2-4 and R.sub.5 is as defined above; R.sub.8, R.sub.9, R.sub.10 and R.sub.11 are independently selected from the group consisting of hydrogen, alkyl, aryl, arylalkyl and (CH.sub.2).sub.n OR.sub.5 or at least two of R.sub.8, R.sub.9, R.sub.10 and R.sub.11 together form a ring system containing 5-10 atoms wherein said ring system is carbocyclic, heterocyclic or reduced heterocyclic and R.sub.5 and n are as defined above; R.sub.12, R.sub.13 and R.sub.14 are independently selected from the group consisting of alkyl and aryl; and X.sub.1 and X.sub.2 are independently selected from the group consisting of hydrogen, alkyl, alkenyl, cycloalkyl, aryl, and arylalkyl; and the acid addition salts thereof.

  一种抑制脂氧合酶酶活性的组合物，包括药学上可接受的载体和公式化合物：##STR1## 其中R.sub.1和R.sub.2分别选自由烷基，烯基，环烷基，环烯基，芳基，芳基烷基，芳基烯基，还原杂环芳基和还原杂环芳基烷基，以及其取代衍生物，其中每个取代基独立地选自卤素，烷基，卤代烷基，芳基，芳基烷基，还原杂环芳基，芳基烷氧基，氰基，硝基，COR.sub.4，SO.sub.2R.sub.4，NR.sub.5R.sub.6，OR.sub.6，COCX.sub.1X.sub.2NR.sub.6R.sub.7，CON（OH）R.sub.6，NR.sub.6COR.sub.4，CR.sub.5（NH.sub.2）CO.sub.2R.sub.5，NHCX.sub.1X.sub.2CO.sub.2R.sub.5，N（OH）CONR.sub.5R.sub.6，N（OH）COR.sub.4，NHCONR.sub.5R.sub.6，C（NOH）NHOH和CONHNR.sub.5R.sub.6；R.sub.3选自氢，药学上可接受的盐，COR.sub.4，COCX.sub.1X.sub.2NR.sub.6R.sub.7，CR.sub.8R.sub.9OR.sub.10，CH.sub.2CR.sub.8（OR.sub.10）CH.sub.2OR.sub.11和SiR.sub.12R.sub.13R.sub.14；R.sub.4选自氢，烷基，烯基，环烷基，环烯基，芳基，芳基烷基，还原杂环芳基，还原杂环芳基烷基，OR.sub.5，NHCX.sub.1X.sub.2CO.sub.2R.sub.5和NR.sub.6R.sub.7；R.sub.5选自氢，烷基，烯基，环烷基，芳基，芳基烷基，还原杂环芳基和还原杂环芳基烷基；R.sub.6和R.sub.7分别选自氢，烷基，烯基，环烷基，芳基，芳基烷基，还原杂环芳基，还原杂环芳基烷基和（CH.sub.2）.sub.nOR.sub.5，其中n为2-4，R.sub.5如上所定义；R.sub.8，R.sub.9，R.sub.10和R.sub.11独立地选自氢，烷基，芳基，芳基烷基和（CH.sub.2）.sub.nOR.sub.5，或者R.sub.8，R.sub.9，R.sub.10和R.sub.11中至少两个组成含5-10个原子的环系统，所述环系统为碳环，杂环或还原杂环，R.sub.5和n如上所定义；R.sub.12，R.sub.13和R.sub.14独立地选自烷基和芳基；X.sub.1和X.sub.2独立地选自氢，烷基，烯基，环烷基，芳基和芳基烷基；以及其酸加成盐。
• 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）。
• Wheeler, American Chemical Journal, 1901, vol. 26, p. 353
  作者：Wheeler

  DOI：——

  日期：——
• Capuano, Lilly; Bolz, Gerda; Burger, Robert, Liebigs Annalen der Chemie, 1990, p. 239 - 243
  作者：Capuano, Lilly、Bolz, Gerda、Burger, Robert、Burkhardt, Volker、Huch, Volker

  DOI：——

  日期：——
• WO2007/51133
  申请人：——

  公开号：——

  公开（公告）日：——