N-benzoyl-S-methyl-N'-phenyl-isothiourea | 73999-12-9

• 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-benzoyl-S-methyl-N'-phenyl-isothiourea
• 英文别名: N-Benzoyl-S-methyl-N'-phenyl-isothioharnstoff；N-phenyl-N'-benzoyl-S-methylisothiourea；methyl N-benzoyl-N'-phenylcarbamimidothioate
• CAS: 73999-12-9
• 化学式: C₁₅H₁₄N₂OS
• 分子量: 270.355
• InChiKey: DBFXGJZJCTUAHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-benzoyl-S-methyl-N'-phenyl-isothiourea 在 羟胺 作用下， 以 甲醇 为溶剂， 生成 N,5-二苯基-1,2,4-恶二唑-3-胺
  参考文献：
  名称：

  Facile synthesis of 3-aryl/alkylamino 5-aryl/alkyl 1,2,4-oxadiazoles from acylthiourea

  摘要：

  Facile and selective synthesis of 3-aryl/alkylamino 5-aryl/alkyl 1,2,4-oxadiazoles starting from N-acylthioureas has been demonstrated. The regio-selectivity is achieved by simply selecting an appropriate base used for the generation of hydroxyl amine from the corresponding hydrochloride salt. This method also avoids the use of toxic cyanogen bromide. The structure of the synthesized oxadiazoles has been resolved by tandem mass spectral studies. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.09.048
• 作为产物：
  描述：

  N-Benzoyl-dithiocarbaminsaeure-methylester 在 sodium methylate 作用下， 生成 N-benzoyl-S-methyl-N'-phenyl-isothiourea
  参考文献：
  名称：

  Wheeler; Merriam, Journal of the American Chemical Society, 1901, vol. 23, p. 298

  摘要：

  DOI：

文献信息

• Method of preparing 2-(phenylamino)-imidazolines-(2)
  申请人：DSO "Pharmachim"

  公开号：US04290971A1

  公开（公告）日：1981-09-22

  A process for preparing compounds of the formula: ##STR1## or pharmaceutically acceptable salts thereof, wherein R.sub.1 and R.sub.2 each individually are hydrogen, halogen, or nitro, which comprises the steps of: (a) alkylating a compound of the formula: ##STR2## wherein R.sub.3 is C.sub.1 to C.sub.4 alkyl or phenyl, with a compound of the formula: R.sub.4 --X wherein R.sub.4 is C.sub.1 to C.sub.6 alkyl or phenyl-alkyl where the alkyl is C.sub.1 to C.sub.4 and X is halogen, in the presence of a base to yield a compound of the formula: ##STR3## and; (b) cyclizing the compound formed during step (a) with ethylenediamine mono-p-toluenesulphonate at a temperature of 100.degree. to 200.degree. C. to yield the desired product. New intermediate compounds are also disclosed. The desired products have antihypertensive properties.

  制备式为：##STR1## 或其药学上可接受的盐的化合物的方法，其中R.sub.1和R.sub.2各自独立地为氢、卤素或硝基，包括以下步骤：(a)用式为：##STR2##其中R.sub.3为C.sub.1至C.sub.4烷基或苯基，与式为：R.sub.4 --X的化合物进行烷基化反应，其中R.sub.4为C.sub.1至C.sub.6烷基或苯基-烷基，烷基为C.sub.1至C.sub.4，X为卤素，在碱存在下得到式为：##STR3##的化合物；(b)将步骤(a)中形成的化合物与乙二胺单-p-甲苯磺酸盐在100℃至200℃的温度下环化，得到所需的产物。还公开了新的中间体化合物。所得的产物具有降压作用。
• Wheeler; Merriam, Journal of the American Chemical Society, 1901, vol. 23, p. 298
  作者：Wheeler、Merriam

  DOI：——

  日期：——
• THE FORMATION OF FURO-α,β'-DIAZOLES FROM ACYL IMIDOTHIOCARBONATES AND ACYL PSEUDOTHIOUREAS¹
  作者：Shao Tseng Yang、Treat B. Johnson

  DOI：10.1021/ja01344a058

  日期：1932.5
• AUGUSTIN M.; RICHTER M.; SALAS S., J. PRAKT. CHEM., 1980, 322, NO 1, 55-68
  作者：AUGUSTIN M.、 RICHTER M.、 SALAS S.

  DOI：——

  日期：——
• GEORGIEV, A. G.;ANDREEV, K. D.;KONSTANTINOVA, K. V.
  作者：GEORGIEV, A. G.、ANDREEV, K. D.、KONSTANTINOVA, K. V.

  DOI：——

  日期：——