N-Ethoxycarbonyl-4-methyl-thiobenzamide | 57774-66-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-Ethoxycarbonyl-4-methyl-thiobenzamide
• 英文别名: N-(Ethoxycarbonyl)-4-methylbenzenethiocarboxamide；N-carboethoxy-4-toluenethioamide；N-carboethoxy-4-toluenethiocarboxamide；N-Ethoxycarbonyl-4-toluoylthioamid；(4-methyl-thiobenzoyl)-carbamic acid ethyl ester；Carbamic acid, [(4-methylphenyl)thioxomethyl]-, ethyl ester；ethyl N-(4-methylbenzenecarbothioyl)carbamate
• CAS: 57774-66-0
• 化学式: C₁₁H₁₃NO₂S
• 分子量: 223.296
• InChiKey: BHXSNPGMTXTURM-UHFFFAOYSA-N

物化性质

• 熔点：
  98-100 °C
• 密度：
  1.172±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  70.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-Ethoxycarbonyl-4-methyl-thiobenzamide 以 喹啉 、 乙醇 为溶剂， 反应 0.07h， 生成 6-methyl-2-(p-tolyl)quinazolin-4(3H)-one
  参考文献：
  名称：

  Dean, W. D.; Papadopoulos, E. P., Journal of Heterocyclic Chemistry, 1982, vol. 19, p. 171 - 176

  摘要：

  DOI：
• 作为产物：
  描述：

  甲苯 、 异硫氰酰甲酸乙酯 以63%的产率得到
  参考文献：
  名称：

  PAPADOPULOS E. P., J. ORG. CHEM. , 1976, 41, NO 6, 962-965

  摘要：

  DOI：

文献信息

• Reaction of Cis–[RuCl2 (DMSO)4 with some Aromatic Thioamides (RCSNHCOR') in Presence Nitric oxide and Pyridine
  作者：K. Singh、Pratibha Singh

  DOI：10.13005/ojc/340350

  日期：2018.6.28

  Reactions of RCSNHCOR′(R and R′ are various types of group) with Cis [RuCl2 (DMSO)4] in presence of nitric oxide and pyridine leads to the formation of new complexes of the type cis-[RuCl2(NO)(RCSNHCOR')(py)]+. These cationic complexes were isolated as cis [RuCl2(NO) (RCSNHCOR') (py)] PF6 on reacting with NH4PF6. The complexes were characterised by elemental analysis, spectroscopic (Infrared, UV-Vis)

  一氧化氮和吡啶存在下，RCSNHCOR'（R和R'是各种类型的基团）与顺式[RuCl2（DMSO）4]的反应导致形成新的顺式[RuCl2（NO）（RCSNHCOR） '）（py）] +。这些阳离子配合物在与NH4PF6反应时分离为顺式[RuCl2（NO）（RCSNHCOR'）（py）] PF6。通过元素分析，光谱学（红外，UV-Vis），电导和磁学研究对复合物进行表征。所有配合物中都出现了一个1840-1850 cm-1的强度带，表明所有这些钌亚硝酰基的Ru-NO} 6型构型在平面内将氯配体转化为NO和吡啶时，其配合物的性质发生了相当大的变化。关键字：钌配合物，碳硫酰胺，电荷转移带。
• Synthesis, Characterization and Reaction of New Ruthenium Aromatic Thioamide Nitrosyls with some Nitrogen Donor Ligands
  作者：K. Singh

  DOI：10.13005/ojc/320426

  日期：2016.8.25

  Reactions of LH=RCSNHCOOEt (R= 4-tolyl, 1-pyrrolyl, and 2thiophenyl) with RuCl3. 3H2O and NO leads to the formation of diamagnetic compounds of the formula [L2Ru(NO)(Cl)J]. These compounds have been characterised by elemental analysis and IR, UV and Visible and magnetic measurements. The presence of (NO) at 1835-1855-cm-1 indicates a Ru-NO}6 configuration. The substitution of Cl bounded trans to NO

  LH = RCSNHCOOEt（R = 4-甲苯基，1-吡咯基和2-硫代苯基）与RuCl3的反应。3H2O和NO导致形成式[L2Ru（NO）（Cl）J]的抗磁性化合物。这些化合物已通过元素分析和红外，紫外以及可见光和磁性测量进行了表征。在1835-1855-cm-1处（NO）的存在表示Ru-NO} 6构型。N-杂环碱（α-甲基吡啶，γ-甲基吡啶和/或吡啶）和CH3CN取代的Cl与反式结合成NO会对配合物的电子性质产生重大影响。
• Tin for organic synthesis. 10. Unconventional regiospecific syntheses of aromatic carbonamides and thiocarbonamides by means of tin-mediated Friedel-Crafts reactions
  作者：Martin Arnswald、Wilhelm P. Neumann

  DOI：10.1021/jo00077a020

  日期：1993.12

  Friedel-Crafts reactions of stannylarenes 1 with tosyl isocyanate (TsNCO, 2) give N-tosylcarbonamides 3 via ipso substitution of the stannyl group. Thus, unconventionally substituted aromatic carbonamides can be obtained. The combination of the reaction of 1 and 2 with that of 1 and chlorosulfonyl isocyanate (14) allows one-pot syntheses of N-(arylsulfonyl)-substituted aromatic carbonamides with optional substitution patterns on both aromatic rings. The known ipso-specific substitutions of stannylarenes with 14 are extended to bi- and tricyclic arenes as well as to thiophenes 6 and 22. One stannyl group can serve as a leaving group for two aromatic systems, as shown with diaryldialkyltins 29. Also, stannylalkanes such as 27 react with 14 to afford alkylsulfonyl isocyanates and products of further reactions, such as 28. From the reactions of 1 with ethoxycarbonyl isothiocyanate (32), ortho- and meta-substituted aromatic thiocarbonamides 33 which are potential precursors for further syntheses, are accessible. The scope, limitations, and mechanism of these electrophilic substitutions are outlined.
• Heterocycles from N-ethoxycarbonylthioamides and dinucleophilic reagents. 2. Five-membered rings containing two heteroatoms at 1,3 positions
  作者：Babu George、Eleftherios P. Papadopoulos

  DOI：10.1021/jo00423a011

  日期：1977.2
• 4,5-Dihydroimidazoles from Dithiocarboxylic Esters, Thiocarboxamides, or Nitriles
  作者：Guy Levesque、Jean-Claude Gressier、Monique Proust

  DOI：10.1055/s-1981-29659

  日期：——