3-(4-Methoxyphenyl)-3-oxopropandithiosaeure | 90843-40-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(4-Methoxyphenyl)-3-oxopropandithiosaeure
• 英文别名: 3-(4-Methoxyphenyl)-3-oxopropanedithioic acid
• CAS: 90843-40-6
• 化学式: C₁₀H₁₀O₂S₂
• 分子量: 226.32
• InChiKey: AKQGEDYBNIKXFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(4-Methoxyphenyl)-3-oxopropandithiosaeure 、 邻苯二胺 生成 4-(4-methoxy-phenyl)-1,3-dihydro-benzo[b][1,4]diazepine-2-thione
  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：
• 作为产物：
  描述：

  对甲氧基苯乙酮 生成 3-(4-Methoxyphenyl)-3-oxopropandithiosaeure
  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

• 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.
• 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：——