(4-acetylamino-thiobenzoylsulfanyl)-acetic acid | 38204-35-2

• 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: (4-acetylamino-thiobenzoylsulfanyl)-acetic acid
• 英文别名: (4-acetylamino-thiobenzoylmercapto)-acetic acid；(4-Acetylamino-thiobenzoylmercapto)-essigsaeure；carboxymethyl p-acetamidodithiobenzoate；<methyl>thio>essigsaeure；4-Acetamino-dithiobenzoesaeure-(carboxy-methylester)；2-(4-Acetamidobenzenecarbothioyl)sulfanylacetic acid
• CAS: 38204-35-2
• 化学式: C₁₁H₁₁NO₃S₂
• 分子量: 269.345
• InChiKey: HOCKIEPBHKKUAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (4-acetylamino-thiobenzoylsulfanyl)-acetic acid 在 sodium hydroxide 、 肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 4-Acetamino-benzaldehyd-(4-acetamino-thiobenzoylhydrazon)
  参考文献：
  名称：

  Jensen,K.A.; Pedersen,C., Acta Chemica Scandinavica (1947), 1961, vol. 15, p. 1097 - 1103

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(4-acetylamino-thiobenzoyl)-piperidine 、 溴乙酸 生成 (4-acetylamino-thiobenzoylsulfanyl)-acetic acid
  参考文献：
  名称：

  Jensen,K.A.; Pedersen,C., Acta Chemica Scandinavica (1947), 1961, vol. 15, p. 1087 - 1096

  摘要：

  DOI：

文献信息

• Hydrazidine; VI¹: Synthese von<i>N</i> ¹,<i>N</i> ²-Dimethylhydrazidinen und 1, 2-Dihydro-1,2-dimethyl-1,2,4,5-tetrazinen
  作者：Hans Neunhoeffer、Ute Karafiat、Matthias Vey

  DOI：10.1055/s-1992-26183

  日期：——

  Hydrazidines, VI. Synthesis of N1,N2-Dimethylhydrazidines and 1,2-Dihydro-1,2-dimethyl-1,2,4,5-tetrazines Starting with (thiobenzoylthio)acetic acids 1 N1,N2-dimethylbenzohydrazide hydrazones 5 were prepared. Cyclization of 5 with trimethyl orthobenzoate affords 1,2-dihydro-1,2-dimethyl-1,2,4,5-tetrazines 6.

  肼类，第六部分。N1,N2-二甲基肼和1,2-二氢-1,2-二甲基-1,2,4,5-四嗪的合成，从（硫代苯甲酰硫代）乙酸开始，制备了N1,N2-二甲基苯并肼羰基脒5。5与三甲基原苯甲酸酯的环化反应得到1,2-二氢-1,2-二甲基-1,2,4,5-四嗪6。
• Preparation of dithioesters by ester interchange and the PMR spectral properties of these compounds
  作者：N.H. Leon、R.S. Asquith

  DOI：10.1016/s0040-4020(01)93022-4

  日期：1970.1

  Aromatic and aliphatic dithioesters, many of them new, have been easily synthesized in excellent yields by the ester interchange reaction between carboxymethyl dithioesters and mercaptans. PMR spectra of these dithioesters and the corresponding oxygen analogues show that a strong anisotropic deshielding effect is associated with the highly polarized thiocarbonyl group.

  通过羧甲基二硫代酯与硫醇的酯交换反应，可以容易地以优异的产率合成芳族和脂肪族二硫代酯，其中许多是新的。这些二硫代酸酯和相应的氧类似物的PMR光谱表明，强极化的各向异性屏蔽作用与高度极化的硫代羰基有关。
• Heterocyclic compounds
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0052442A1

  公开（公告）日：1982-05-26

  Novel heterocyclic compounds of the formula:- wherein either X is -CR1R2- and Y is oxygen, sulphur or -NR3-, wherein R1, R2 and R3, which may be the same or different, each is hydrogen or alkyl of up to 4 carbon atoms; or X is oxygen, sulphur or -NH- and Y is -CH2-; wherein R4 and R5, which may be the same or different, each is hydrogen, cyano, nitro, amino or hydroxy, or alkylthio of up to 4 carbon atoms, or has various other meanings defined in i claim 1, provided that R4 and R5 are not both hydrogen; or wherein R4 and R5 are joined together such that with the benzene ring A they form a benzheterocyclic ring as defined in claim 1; and therein the benzene ring A may optionally bear one or more further substituents; or a salt thereof where appropriate. These compounds possess cardiotonic properties, and some of them possess peripheral vasodilator properties, and they are useful for the treatment of acute or chronic heart failure. Representative of the compounds is N,N-dimethyl-p-(5,6-dihydro-5-oxo-4H-1,3,4-thiadiazin-2-yl)benzamide. Also disclosed are processes for the manufacture of the compounds and pharmaceutical compositions containing them.

  式中的新型杂环化合物 其中X为-CR1R2-，Y为氧、硫或-NR3-，其中R1、R2和R3可以相同或不同，各自为氢或最多4个碳原子的烷基；或X为氧、硫或-NH-，Y为-CH2-；其中R4和R5可以相同或不同，各自为氢、氰基、硝基、氨基或羟基或最多4个碳原子的烷硫基，或具有权利要求1中定义的各种其它含义，但R4和R5不能都是氢；或其中 R4 和 R5 连接在一起，从而与苯环 A 形成权利要求 1 所定义的苯杂环；其中苯环 A 可任选带有一个或多个进一步的取代基；或其盐（如适用）。 这些化合物具有强心特性，其中一些还具有外周血管扩张特性，可用于治疗急性或慢性心力衰竭。其中具有代表性的化合物是 N,N-二甲基-p-(5,6-二氢-5-氧代-4H-1,3,4-噻二嗪-2-基)苯甲酰胺。此外，还公开了这些化合物的生产工艺以及含有这些化合物的药物组合物。
• Jensen,K.A. et al., Acta Chemica Scandinavica (1947), 1961, vol. 15, p. 1109 - 1123
  作者：Jensen,K.A. et al.

  DOI：——

  日期：——
• Jensen,K.A.; Pedersen,C., Acta Chemica Scandinavica (1947), 1961, vol. 15, p. 1104 - 1108
  作者：Jensen,K.A.、Pedersen,C.

  DOI：——

  日期：——