Benzoyl-dithioessigsaeure | 41054-42-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Benzoyl-dithioessigsaeure
• 英文别名: Benzoyldithioacetic acid；3-oxo-3-phenylpropanedithioic acid
• CAS: 41054-42-6
• 化学式: C₉H₈OS₂
• 分子量: 196.294
• InChiKey: YAWQUTFLMSFPNJ-UHFFFAOYSA-N

物化性质

• 沸点：
  318.5±44.0 °C(Predicted)
• 密度：
  1.254±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Benzoyl-dithioessigsaeure 在 N-氯代丁二酰亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.33h， 生成 2-[6-(2-Oxo-2-phenyl-ethylidene)-[1,2,4,5]tetrathian-3-ylidene]-1-phenyl-ethanone
  参考文献：
  名称：

  Synthesis of 3H-1,2-dithiole-3-thiones by a novel oxidative cyclization

  摘要：

  Reaction of 3-oxo dithioic acids with a combination of hexamethyldisilathiane and N-chlorosuccinimide in the presence of a catalytic amount of imidazole brings about oxidative ring closure to 3H-1,2-dithiole-3-thiones. Yields vary from poor to good.

  DOI：

  10.1016/s0040-4039(00)79295-1
• 作为产物：
  描述：

  苯乙酮 以56%的产率得到
  参考文献：
  名称：

  ELLEFSON C. R.; WOO C. M.; MILLER A.; KEHR J. R., J. MED. CHEM., 1978, 21, NO 9, 952-957

  摘要：

  DOI：

文献信息

• Therapeutically active 2-aminoalkylthio-3H-1.5-benzodiazepines and
  申请人：Recordati S.A. Chemical and Pharmaceutical Company

  公开号：US03933793A1

  公开（公告）日：1976-01-20

  Novel derivatives of 3H-1,5-benzodiazepine and of their salts of addition with acids, including their quaternary ammonium salts, having the general formula: ##EQU1## are provided. Such compounds are effective therapeutically against a large spectrum of gram positive bacteria and APR8 influenza virus. The invention also provides a novel method of preparing compounds having the formula: ##EQU2## wherein R and R' are the same as above, by reacting orthophenylenediamine with a benzoyldithioacetic acid having the formula: ##EQU3## wherein R and R' are as defined above.

  本发明提供了3H-1,5-苯并二氮平的新衍生物及其与酸的加合物的新衍生物，包括其季铵盐，其通式为：##EQU1## 此类化合物在治疗广谱革兰氏阳性菌和APR8流感病毒方面具有有效性。本发明还提供了一种制备具有以下通式的化合物的新方法：##EQU2## 其中R和R'与上述定义相同，通过将邻苯二胺与具有以下通式的苯甲酰基硫代乙酸反应来实现：##EQU3## 其中R和R'如上所定义。
• A new synthesis of 3H-1,2-dithiole-3-thiones
  作者：Thomas J. Curphey、H.Howard Joyner

  DOI：10.1016/s0040-4039(00)79205-7

  日期：1993.6

  Exposure of 3-oxo dithioic acids to a solution of polysulfanes in liquid hydrogen sulfide gives 3H-1,2-dithiole-3-thiones in yields varying from poor to excellent. The method tolerates the presence of functional groups which are problematical for other methods of synthesis.
• Syntheses of new Fe/S clusters via reactions of Fe3(CO)12 and salts of heteroallyl anions of type [GCS2]− (G=Ph2PS, ArCOCH2, 2-C5H4NNH and 2-C3H2NSNH) with electrophiles
  作者：Yao-Cheng Shi、Huan-Ren Cheng、Qiang Fu、Fei Gu、Yan-Hua Wu

  DOI：10.1016/j.poly.2013.03.049

  日期：2013.6

  The reaction of Fe-3(CO)(12) and [NEt4][GCS(2)] with an electrophile CH3I in THF affords complex Fe-2(CO)(6)(mu-GC(S)SCH3) (G = Ph2PS, 1). The reaction of Fe-3(CO)(12) with PhCOCH2CS2H and NEt3 forms a red-brown solution of [HNEt3][Fe-2(CO)(6)(mu-GCS(2))] identified by IR and ESI-MS (G = PhCOCH2). The reactions of the solution with a series of electrophiles E-X such as CH3I, PhCH2Br and CH2=CHCH2Br produce complexes Fe-2(CO)(6) (mu-GC(S)SE) (2, E = CH3; 3, E = CH2Ph; 4, E = CH2CH=CH2). In the absence of NEt3, the reaction of Fe-3(CO)(12) and PhCOCH2CS2H gives complex Fe-2(CO)(6)(mu-S2C=CHCOPh) (5). The reaction of GCS(2)H with NEt3, Fe-3 (CO)(12) and CH3I yields complexes Fe-2(CO)(6)(mu-GC(S)SCH3) (G = 4-MeOC6H4COCH2, 6; G = C5H5FeC5H4COCH2, 7). The reaction of Fe(C5H4COCH2CS2H)(2), NEt3 and Fe-3(CO)(12) with CH3I affords complex Fe[(mu-C5H4COCH2C(S)SCH3)Fe-2(CO)(6)](2) (8). Unlike the above-mentioned cases, the reaction of Fe-3(CO)(12) and [HNEt3][GCS(2)] (G = 2-C5H4NNH, 2-C3H2NSNH) with PhCOCI generates the corresponding complexes Fe-2 (CO)(5)(mu-k(2)N,S:k(2)C-2-C5H4NN(COPh)CS)(mu-k(2)S-SCOPh) (9) and Fe-2(CO)(5)(mu-k(2)N,S:k(2)C-2-C3H2NSN(COPh) CS)(mu-k(2)S-SCOPh) (10). All new complexes have been characterized by elemental analysis, IR, H-1 and C-13 NMR spectroscopy as well as P-31 NMR spectroscopy for I, structures of them have been unequivocally determined by X-ray crystallography. (C) 2013 Elsevier Ltd. All rights reserved.
• Rheude, Udo; Schork, Reinhold; Sundermeyer, Wolfgang, Chemische Berichte, 1985, vol. 118, # 7, p. 2852 - 2857
  作者：Rheude, Udo、Schork, Reinhold、Sundermeyer, Wolfgang

  DOI：——

  日期：——
• RAMACHANDRAN J.; RAMADAS S. R.; PILLAI C. N., ORG. PREP. AND PROCED. INT., 1981, 13, NO 2, 81-86
  作者：RAMACHANDRAN J.、 RAMADAS S. R.、 PILLAI C. N.

  DOI：——

  日期：——