2-(4-甲基硫酰2-硝基苯基)丙醛 | 197251-71-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(4-甲基硫酰2-硝基苯基)丙醛
• 中文别名: 2-(4-甲基磺酰基-2-硝基苯基)丙二醛
• 英文名称: [4-(methylsulfonyl)-2-nitrophenyl]-propanedial
• 英文别名: 2-(4-Methylsulfonyl-2-nitrophenyl)malondialdehyde；2-(4-methylsulfonyl-2-nitrophenyl)propanedial
• CAS: 197251-71-1
• 化学式: C₁₀H₉NO₆S
• 分子量: 271.251
• InChiKey: DEDOAYHMNVGYGD-UHFFFAOYSA-N

物化性质

• 熔点：
  213-219°C
• 沸点：
  504.4±50.0 °C(Predicted)
• 密度：
  1.5682 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  18
• 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：
  123
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2913000090
• 储存条件：
  存放在0至6°C的阴凉干燥处。

反应信息

• 作为反应物：
  描述：

  2-(4-甲基硫酰2-硝基苯基)丙醛 在 对甲苯磺酸 、 N,N-二异丙基乙胺 、 三氯氧磷 、 三氯化磷 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 1-Benzo[1,3]dioxol-5-yl-2-[5-(4-methanesulfonyl-2-nitro-phenyl)-pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-β-carboline
  参考文献：
  名称：

  Synthesis and biological activities of novel β-Carbolines as PDE5 inhibitors

  摘要：

  A series of N-2-furoyl and N(2)pyrimidinyl beta-carbolines was discovered to possess potent inhibitors activity against PDE5. During the synthesis we developed a tandem resin quenching protocol. which allowed us to synthesize large number of target compounds in a rapid fashion. Representative Compounds exhibit superior selectivity to sildenafil versus other isozymes of PDEs. and demonstrated in vivo efficacy in increasing introcavernosal pressure in dogs. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01036-3

文献信息

• Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds or compositions for disinfection or sterilization
  申请人：Zhu C. Peter

  公开号：US20050171201A1

  公开（公告）日：2005-08-04

  Disclosed herein are α-Hydroxy sulfonate aldehydes and synthesis methods therefor. Germicidal compositions including the α-hydroxy sulfonate aldehydes, are also disclosed. In one aspect, a germicidal composition may include a diluent, and a germicidally effective amount of a water-soluble germicidal compound including an aldehyde group and an α-hydroxy sulfonate group. The water-soluble compound may have a solubility of at least 5 (w/v) % in water. In a further aspect, the compound may include 1-hydroxy-3-oxo-2-phenyl-propane-1-sulfonic acid salt, (2-formyl-phenyl)-hydroxy-methane sulfonic acid salt, 1-hydroxy-2-(4-methanesulfonyl-2-nitro-phenyl)-3-oxo-propane-1-sulfonic acid salt, 2-bromo-1-hydroxy-3-oxo-propane-1-sulfonic acid salt, 2-chloro-1-hydroxy-3-oxo-propane-1-sulfonic acid salt, 2-(1-formyl-2-hydroxy-2-sulfo-ethyl)-isonicotinic acid salt, 2-benzooxazol-2-yl-1-hydroxy-3-oxo-propane-1-sulfonic acid salt, or 1-hydroxy-2-(4-methoxy-phenyl)-3-oxo-propane-1-sulfonic acid salt. Germicidal compositions including a mixture of an α-hydroxy sulfonate aldehyde and one or more phthalaldehydes, such as phthalaldehyde, isophthalaldehyde, terephthalaldehyde, or a combination thereof, are also disclosed. Methods of using the compounds or compositions for killing bacteria, disinfection, or sterilization, are also disclosed.

  本文披露了α-羟基磺酸醛及其合成方法。还披露了包括α-羟基磺酸醛的杀菌组合物。在一个方面，杀菌组合物可能包括稀释剂，以及包括醛基和α-羟基磺酸基团的水溶性杀菌化合物的有效量。这种水溶性化合物在水中的溶解度可能至少为5（w/v）％。在另一个方面，该化合物可能包括1-羟基-3-氧代-2-苯基-丙烷-1-磺酸盐，（2-甲酰基-苯基）-羟基-甲烷磺酸盐，1-羟基-2-(4-甲磺酰基-2-硝基苯基)-3-氧代-丙烷-1-磺酸盐，2-溴-1-羟基-3-氧代-丙烷-1-磺酸盐，2-氯-1-羟基-3-氧代-丙烷-1-磺酸盐，2-(1-甲酰基-2-羟基-2-磺基乙基)-异烟酸盐，2-苯并噁唑-2-基-1-羟基-3-氧代-丙烷-1-磺酸盐，或1-羟基-2-(4-甲氧基苯基)-3-氧代-丙烷-1-磺酸盐。还披露了包括α-羟基磺酸醛和一种或多种邻苯二甲醛的混合物的杀菌组合物，如邻苯二甲醛、异苯二甲醛、对苯二甲醛，或其组合物。还披露了使用这些化合物或组合物用于杀灭细菌、消毒或灭菌的方法。
• Germicidal compositions containing halogenated phthalaldehyes, and methods of using such compositions for disinfection or sterilization
  申请人：Zhu C. Peter

  公开号：US20050171215A1

  公开（公告）日：2005-08-04

  Germicidal compositions including a diluent, and a germicidal compound having the formula: wherein X is a halogen, and methods of using such compositions for killing bacteria, disinfection, or sterilization are disclosed. In one aspect, the composition may include a germicidally effective amount of the compound. For example, the composition may include an amount of the compound that is effective to kill at least 1×10 6 Mycobacterium terrae bacteria in contact with the composition in less than one hour with a bacteria suspension test at a temperature of 20° C. In another aspect, the compound may have a staining property that is less than that of phthalaldehyde.

  包括稀释剂的杀菌组合物，以及具有以下化学式的杀菌化合物：其中X是卤素，并公开了使用这种组合物用于杀灭细菌、消毒或灭菌的方法。在一个方面，该组合物可能包括化合物的杀菌有效量。例如，该组合物可能包括一定量的化合物，能够在与该组合物接触的情况下，在20°C的温度下，在不到一个小时的时间内杀死至少1×106土壤分枝杆菌，通过细菌悬浮测试。在另一个方面，该化合物可能具有比邻苯二甲醛更低的染色性能。
• Germicidal compositions containing phenylmalonaldehyde-type compounds, or mixtures of phenylmalonaldehyde-type compounds and phthalaldehydes, and methods of using such compositions for disinfection or sterilization
  申请人：Zhu C. Peter

  公开号：US20050171121A1

  公开（公告）日：2005-08-04

  Germicidal compositions containing phenylmalonaldehyde-type compounds, or mixtures of phenylmalonaldehyde-type compounds and phthalaldehydes, and methods of using such compositions for killing bacteria, disinfection, or sterilization, are disclosed. In one aspect, a germicidal composition may include a diluent, and a germicidal compound having the formula: wherein Ar is an aryl group that is selected from the group consisting of phenyl, 4-pyrimidinyl, and 2-(2-nitro-3-formyl-phenyl). In a further aspect, the composition may also include a germicidal efficacy enhancer such as isophthalaldehyde or a combination of isophthalaldehyde and terephthalaldehyde.

  揭示了含有苯基马隆醛类化合物或苯基马隆醛类化合物与邻苯二醛的混合物的杀菌组合物，以及使用这种组合物用于杀灭细菌、消毒或灭菌的方法。在一个方面，一种杀菌组合物可能包括一种稀释剂和一种具有以下结构式的杀菌化合物：其中 Ar 是从苯基、4-嘧啶基和2-(2-硝基-3-甲酰基苯基)等组成的芳基。在另一个方面，该组合物还可以包括一种杀菌效果增强剂，例如异苯二醛或异苯二醛与对苯二醛的组合物。
• Germicidal compositions containing phthalaldehyde mixtures and methods of using such compositions for disinfection or sterilization
  申请人：Ethicon, Inc.

  公开号：EP1559435A1

  公开（公告）日：2005-08-03

  Germicidal compositions including a phthalaldehyde and methods of using such compositions for killing bacteria, disinfection, or sterilization, are disclosed. In one aspect, a germicidal composition may include a diluent, a germicidal compound, such as phthalaldehyde, and an amount of isophthalaldehyde to enhance the germicidal efficacy of the germicidal compound. In the case of phthalaldehyde, the composition may have a staining property that is less than a staining property of a composition consisting essentially of phthalaldehyde diluted to the same concentration. In another aspect, the composition may further include an amount of terephthalaldehyde to enhance the germicidal efficacy of the phthalaldehyde. In yet another aspect, a germicidal composition may include a diluent, phthalaldehyde, and a material such as isophthalaldehyde, terephthalaldehyde, or a combination of isophthalaldehyde and terephthalaldehyde, in order to reduce a staining property of the phthalaldehyde.

  本发明涉及一种包括邻苯二甲醛的杀菌组合物及其用于杀菌、消毒或灭菌的方法。在一方面，一种杀菌组合物可以包括一种稀释剂、一种杀菌化合物（如邻苯二甲醛）以及一定量的异邻苯二甲醛，以增强杀菌化合物的杀菌效果。在邻苯二甲醛的情况下，该组合物的染色性质可能小于仅由邻苯二甲醛稀释到相同浓度的组合物的染色性质。在另一方面，该组合物还可以进一步包括一定量的对苯二甲醛，以增强邻苯二甲醛的杀菌效果。在另一方面，一种杀菌组合物可以包括一种稀释剂、邻苯二甲醛以及一种材料（如异邻苯二甲醛、对苯二甲醛或异邻苯二甲醛和对苯二甲醛的组合物），以减少邻苯二甲醛的染色性质。
• Germicidal compositions containing halogenated phthalaldehydes, and methods of using such compositions for disinfection or sterilization
  申请人：ETHICON, INC.

  公开号：EP1561475A1

  公开（公告）日：2005-08-10

  Germicidal compositions including a diluent, and a germicidal compound having the formula: wherein X is a halogen, and methods of using such compositions for killing bacteria, disinfection, or sterilization are disclosed. In one aspect, the composition may include a germicidally effective amount of the compound. For example, the composition may include an amount of the compound that is effective to kill at least 1x106 Mycobacterium terrae bacteria in contact with the composition in less than one hour with a bacteria suspension test at a temperature of 20°C. In another aspect, the compound may have a staining property that is less than that of phthalaldehyde.

  本发明公开了包括稀释剂和具有以下式子的杀菌化合物的杀菌组合物： 其中 X 是卤素，并公开了使用这种组合物杀灭细菌、消毒或灭菌的方法。在一个方面，组合物可以包括杀菌有效量的化合物。例如，该组合物可包括一定量的化合物，该化合物在 20°C 的温度下，通过细菌悬浮测试，可在不到一小时的时间内有效杀死至少 1x106 个与该组合物接触的分枝杆菌。另一个方面，化合物的染色性可以低于邻苯二甲醛。