3,4-dichlorophenyl α-oxoketen dithioacetal | 56944-70-8

• 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: 3,4-dichlorophenyl α-oxoketen dithioacetal
• 英文别名: 3,3-Bis-methylthio-1-(3',4'-dichlorphenyl)-2-propen-1-on；1-(3,4-dichlorophenyl)-3,3-bis(methylthio)prop-2-en-1-one；1-(3,4-dichlorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one
• CAS: 56944-70-8
• 化学式: C₁₁H₁₀Cl₂OS₂
• 分子量: 293.238
• InChiKey: XHDCUCTVUKCSPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  67.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,4-dichlorophenyl α-oxoketen dithioacetal 在 盐酸羟胺 、 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以67%的产率得到3-(3,4-dichlorophenyl)-5-methylthio-isoxazole
  参考文献：
  名称：

  Banerjee; Bandyopadhyay; Gayen, Arzneimittel-Forschung/Drug Research, 1994, vol. 44, # 7, p. 863 - 866

  摘要：

  DOI：
• 作为产物：
  描述：

  3,3-Dimercapto-1-(3',4'-dichlorphenyl)-2-propen-1-on 、 碘甲烷 以50%的产率得到
  参考文献：
  名称：

  TAJANA A.; NARDI D.; CAPPELETTI R., ANN. CHIM. (ITAL.), 1974, 64, NO 5-6, 305-316

  摘要：

  DOI：

文献信息

• A convenient base-mediated synthesis of 3-aryol-4-methyl (or benzyl)-2-methylthio furans from α-oxo ketene dithioacetals and propargyl alcohols via domino coupling/annulations
  作者：Xiaobing Yang、Fangzhong Hu、Hongjing Di、Xinxin Cheng、Dan Li、Xiaoli Kan、Xiaomao Zou、Qichun Zhang

  DOI：10.1039/c4ob01300j

  日期：——

  A convenient base-mediated synthesis of 3-aryol-4-methyl (or benzyl)-2-methylthio furans2has been developed through the domino coupling/annulations from α-oxo ketene dithioacetals1and propargyl alcohols.

  已开发出一种方便的基介导的合成方法，通过α-氧酮二硫乙醇醛和丙炔醇的多米诺偶联/环化反应，合成了3-芳基-4-甲基（或苄基）-2-甲硫基呋喃。
• Cycloaddition of Sodium Azide to Polarized Ketene<i>S,S</i>- and<i>S,N</i>-Acetals: Synthesis of Novel Substituted Triazole and Tetrazole Derivatives
  作者：R. T. Chakrasali、H. Ila、H. Junjappa

  DOI：10.1055/s-1988-27604

  日期：——

  Thermal [3+2] cycloadditon of aroylketene dithioacetals 1a-e with sodium azide affords novel 4-aroyl-5-methylthio-1H-1,2,3-triazoles 3a-e. The corresponding S,N-acetals 5a-m derived from primary amines react with sodium azide through different pathway involving cyclization of initially formed imidoyl azide intermediates to give novel 1,5-disubstituted tetrazole 7a-m in good yields. The S,N-acetal 5n obtained from malononitrile, however, undergoes cycloaddition on one of the nitrile groups to give a tetrazole 8.

  芳基乙烯二硫代乙醛 1a-e 与叠氮化钠发生热[3+2]环加成反应，生成新型 4-芳酰基-5-甲硫基-1H-1,2,3-三唑 3a-e。由伯胺衍生的相应 S,N-缩醛 5a-m 与叠氮化钠通过不同的途径（包括最初形成的咪唑酰叠氮化物中间体的环化）发生反应，以良好的产率得到新型 1,5-二取代四氮唑 7a-m。然而，从丙二腈中得到的 S,N-缩醛 5n 会与其中一个腈基发生环化反应，生成四氮唑 8。
• CCR2 Receptor Antagonists and Uses Thereof
  申请人：Ebel Heiner

  公开号：US20100204209A1

  公开（公告）日：2010-08-12

  The present invention relates to novel antagonists for CCR2 (CC chemokine receptor 2) and their use for providing medicaments for treating conditions and diseases, especially pulmonary diseases like asthma and COPD.

  本发明涉及新型CCR2（CC趋化因子受体2）拮抗剂及其用于提供治疗疾病和病症的药物，特别是用于治疗肺部疾病，如哮喘和COPD。
• CCR2 receptor antagonists and uses thereof
  申请人：Ebel Heiner

  公开号：US08653262B2

  公开（公告）日：2014-02-18

  The present invention relates to novel antagonists for CCR2 (CC chemokine receptor 2) and their use for providing medicaments for treating conditions and diseases, especially pulmonary diseases like asthma and COPD.

  本发明涉及新的CCR2（CC趋化因子受体2）拮抗剂及其用途，用于提供治疗疾病和病症的药物，特别是用于治疗肺部疾病，如哮喘和COPD。
• Infrared spectra and theoretical study of the conformations of substituted benzoylketene-S,S-acetals
  作者：A. Perjéssy、W. -D. Rudorf、D. Loos、Z. Šusteková

  DOI：10.1007/bf00811088

  日期：1994.12

  The C=O stretching frequencies of substituted benzoylketene-S,S-dimethylacetals (1a-1o) and benzoylketene-S,S-ethyleneacetals (2a-2m) were measured in CHCl3 and CCl4 and correlated with the Hammett substituent constants. The correlations were split into two different and well separated lines for compounds containing electron donor and electron acceptor substituents, which were assigned to s-trans and s-cis quasiplanar conformations. The correlations of carbonyl stretching frequencies with C=O bond orders and oxygen atom charge densities calculated using the semiempirical AM1 method reveal similar results consistent with assignments of structures 1 and 2 to two quasiplanar conformations. The preparation of some new benzoylketene-S,S-acetals is reported as well.