1-chloro-4-nitromethanesulfonyl-benzene | 66073-97-0

• 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: 1-chloro-4-nitromethanesulfonyl-benzene
• 英文别名: 4-Chlorophenylsulphonylnitromethane；1-chloro-4-(nitromethylsulfonyl)benzene
• CAS: 66073-97-0
• 化学式: C₇H₆ClNO₄S
• mdl: MFCD00129450
• 分子量: 235.648
• InChiKey: XMYAZABHPSHKHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  88.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-chloro-4-nitromethanesulfonyl-benzene 在 硝酸 作用下， 以 溶剂黄146 为溶剂， 生成 3,4-bis(4-chlorobenzene-1-sulfonyl)furoxan
  参考文献：
  名称：

  Kelley,J.L. et al., Journal of Heterocyclic Chemistry, 1977, vol. 14, p. 1415 - 1416

  摘要：

  DOI：
• 作为产物：
  描述：

  氯硝甲烷 、 sodium p-chlorobenzenesulphinate 以 乙醇 为溶剂， 以82%的产率得到1-chloro-4-nitromethanesulfonyl-benzene
  参考文献：
  名称：

  A Simple Synthesis of Some New Arylsulfonylnitromethanes

  摘要：

  Arylsulfonylnitromethanes were obtained by a nucleophilic substitution reaction. The suggested method of obtaining arylsulfonylnitromethanes has some important advantages over the methods known so far: It is a relatively short, one-stage process; no byproducts are obtained, so there is no need for further procedures to separate the main products from the reaction mixture; and the final compounds possess a good degree of purity. The structure of the new products were confirmed by H-1 NMR, IR, and elemental analysis. The solid state structure of 6 was established by X-ray analysis.

  DOI：

  10.1080/10426500903348005

文献信息

• A simple and efficient synthesis of trihalomethyl and dihalonitromethyl aryl sulfones
  作者：Krzysztof M. Borys、Maciej D. Korzyński、Zbigniew Ochal

  DOI：10.1016/j.tetlet.2012.09.121

  日期：2012.11

  identical or different halogens is presented. The synthesis is based on the reaction of aryl methyl, aryl halomethyl, or aryl nitromethyl sulfones with sodium hypohalite. The method is simple in implementation, does not necessarily require the use of organic solvents, and selectively affords the products in good to excellent yields. Notably, it allows the preparation of the hitherto unknown phenyl trihalomethyl

  提出了一种制备具有相同或不同卤素的芳基三卤代甲基砜（活性杀生物剂）的方法。合成基于芳基甲基，芳基卤甲基或芳基硝基甲基砜与次卤酸钠的反应。该方法实施简单，不一定需要使用有机溶剂，并且选择性地以良好至优异的产率提供产物。值得注意的是，它允许制备迄今未知的具有三种不同卤素的苯基三卤代甲基砜：氟，氯和溴。
• Chemo, regio, and stereoselectivity in olefination of hydrazone 1,4-adducts between conjugated azoalkenes and sulphur co-activated methylene compounds
  作者：Orazio A Attanasi、Lucia De Crescentini、Paolino Filippone、Giuseppe Gatti、Fabio Mantellini、Stefania Santeusanio

  DOI：10.1016/s0040-4020(98)00392-5

  日期：1998.6

  hydrazone derivatives by 1,4-addition. In some cases these hydrazones were isolated, while in others their formation is accompanied by olefination products. Under the same reaction conditions and/or in methanol by means of gentle heating, several of these adducts give rise to the related α,β-olefinated hydrazone derivatives as pure isomeric forms or as mixtures by loss of the nitro, sulphonyl or sulphinyl

  在催化量的甲醇钠存在下，共轭偶氮烯烃在室温下平稳地添加（苯基磺酰基）乙酰胺，（苯基磺酰基）乙酸甲酯，（苯基磺酰基）乙酸甲酯，（芳磺酰基）乙腈，双（苯基磺酰基）甲烷和（芳磺酰基）硝基甲烷通过1，4-加成得到相应的α-官能化衍生物。在某些情况下，这些被分离出来，而在另一些情况下，它们的形成伴随有烯烃化产物。在相同的反应条件下和/或在甲醇中通过缓慢加热，这些加合物中的几种会以纯异构体形式或以失去硝基，磺酰基或亚磺酰基的混合物。值得注意的是，对于β-氰基-β-芳基磺酰基加合物，主要检测到消除了提供β-氰基-α，β-烯化的芳基磺酰基，而对于类似的β-硝基-β-芳基磺酰基加合物，则主要观察到损失硝基部分，产生β-芳基磺酰基-α，β-烯化ated。
• NEPLYUEV V. M.; SINENKO T. A.; PELKIS P. S., UKR. XIM. ZH., 1981, 47, HO 5, 522-525
  作者：NEPLYUEV V. M.、 SINENKO T. A.、 PELKIS P. S.

  DOI：——

  日期：——
• BAZAVOVA, I. M.;NEPLYUEV, V. M., YKP. XIM. ZH., 1983, 49, N 7, 758-761
  作者：BAZAVOVA, I. M.、NEPLYUEV, V. M.

  DOI：——

  日期：——
• KELLEY J. L.; MCLEAN E. W.; WILLIARD K. F., J. HETEROCYCL. CHEM., 1977, 14, NO 8, 1415-1416
  作者：KELLEY J. L.、 MCLEAN E. W.、 WILLIARD K. F.

  DOI：——

  日期：——