3-(toluene-4-sulfonyloxy)-hexane | 4458-90-6

• 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-(toluene-4-sulfonyloxy)-hexane
• 英文别名: Hexan-3-yl 4-methylbenzene-1-sulfonate；hexan-3-yl 4-methylbenzenesulfonate
• CAS: 4458-90-6
• 化学式: C₁₃H₂₀O₃S
• 分子量: 256.366
• InChiKey: HPMFKSDFVPBLQX-UHFFFAOYSA-N

物化性质

• 沸点：
  358.6±11.0 °C(Predicted)
• 密度：
  1.082±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2905199090

反应信息

• 作为反应物：
  描述：

  3-(toluene-4-sulfonyloxy)-hexane 在 sodium iodide 作用下， 以 丙酮 为溶剂， 反应 18.0h， 以1.17 g的产率得到3-碘己烷
  参考文献：
  名称：

  摘要：

  Products of reactions of tert-butylated pyrocatechols with alkyl radicals were studied. The major products formed upon gamma-irradiation of deaerated solutions of 4-tert-butyl- and 3,5-di-tert-butylpyrocatechol in hexane and cyclohexane are monoalkyl ethers, which were identified by NMR spectroscopy (H-1, C-13, H-1-H-1 NOESY technique) and gas chromatography-mass spectrometry.

  DOI：

  10.1023/a:1024905903115
• 作为产物：
  描述：

  3-己醇 、 对甲苯磺酰氯 在 吡啶 作用下， 以3.95 g的产率得到3-(toluene-4-sulfonyloxy)-hexane
  参考文献：
  名称：

  摘要：

  Products of reactions of tert-butylated pyrocatechols with alkyl radicals were studied. The major products formed upon gamma-irradiation of deaerated solutions of 4-tert-butyl- and 3,5-di-tert-butylpyrocatechol in hexane and cyclohexane are monoalkyl ethers, which were identified by NMR spectroscopy (H-1, C-13, H-1-H-1 NOESY technique) and gas chromatography-mass spectrometry.

  DOI：

  10.1023/a:1024905903115

文献信息

• Polyol ether derivatives and production methods therefor
  申请人：KAO CORPORATION

  公开号：EP0696564A1

  公开（公告）日：1996-02-14

  Polyol ether derivatives, a method for producing the polyol ether derivatives, and a working fluid composition for a refrigerating machine containing a hydrofluorocarbon and a refrigeration oil containing the polyol ether derivatives as a base oil.

  多元醇醚衍生物、生产多元醇醚衍生物的方法，以及用于制冷机的工作液组合物，其中含有氢氟碳化合物和作为基础油的含有多元醇醚衍生物的冷冻油。
• Laser markable compositions, materials and documents
  申请人：AGFA-GEVAERT

  公开号：US10286707B2

  公开（公告）日：2019-05-14

  A color laser markable composition includes at least a first and a second Diffusion Hindered Molecular Assembly (DHMA), each including a leuco dye and, respectively, a first and second sensitizer. With the laser markable composition, at least two different colors may be formed in a single layer.

  一种彩色激光可标记组合物至少包括第一和第二扩散受阻分子组装体（DHMA），每种组合物都包括一种白基染料以及第一和第二敏化剂。使用这种激光可标记组合物，可在单层中形成至少两种不同的颜色。
• Mechanisms of elimination reactions. XVI. Stereochemistry of elimination from 2- and 3-hexyltrimethylammonium ions. An explanation of the syn-anti dichotomy
  作者：William H. Saunders、David Scott Bailey

  DOI：10.1021/ja00726a029

  日期：1970.11
• SUBSTITUTED PORPHYRINS
  申请人：Duke University

  公开号：EP1718201B1

  公开（公告）日：2016-09-14
• Substituted Porphyrins
  申请人：Batinic-Haberle Ines

  公开号：US20080021007A1

  公开（公告）日：2008-01-24

  To improve bioavailability of the catalytic metalloporphyrin-based SOD mimics Mn(III) 5,10,15,20-tetrakis[N-ethylpyridinium-2-yl]porphyrin (MnTE-2-PyP 5+ ) and Mn(III) 5,10,15,20-tetrakis[N,N′-diethylimidazolium-2-yl]porphyrin (MnTDE-2-ImP 5+ ), three new Mn(III) porphyrins, bearing oxygen atoms within side chains, were synthesized and characterized: Mn(III) 5,10,15,20-tetrakis[N-(2-methoxyethyl)pyridinium-2-yl]porphyrin (MnTMOE-2-PyP 5+ ), Mn(III) 5,10,15,20-tetrakis[N-methyl-N′-(2-methoxyethyl)imidazolium-2-yl]porphyrin (MnTM,MOE-2-ImP 5+ ) and Mn(III) 5,10,15,20-tetrakis[N,N′-di(2-methoxyethyl)imidazolium-2-yl]porphyrin (MnTDMOE-2-ImP 5+ ). The catalytic rate constants for O 2 dismutation (and the related metal-centered redox potentials vs NHE) for the new compounds are: log k cat =8.04 (E ½ =+251 mV) for MnTMOE-2-PyP 5+ , log k cat =7.98 (E ½=+356 mV) for MnTM,MOE-2-ImP 5+ and log k cat=7.59 (E ½=+365 mV) for MnTDMOE-2-ImP 5+ . At 30 μM levels none of the new compounds were toxic, and allowed SOD-deficient E. coli to grow nearly as well as wild type. At 3 μM levels, the MnTDMOE-2-ImP 5+ , bearing an oxygen atom within each of the eight side chains, was the most effective and offered much higher protection than MnTE-2-PyP 5+ , while MnTDE-2-ImP 5+ was inefficient. These new porphyrins were compared to Mn(III) N-alkylpyridylporphyrins. While longer-chain n-alkyl members of the series exerted toxicity at higher concentration levels, they were very effective at submicromolar levels. Thus, 0.3 μM Mn(III) tetrakis(N-n-hexyl-pyridinum-2-yl)porphyrin and its n-octyl analogue offered the same level of protection as did >10 μM methyl and ethyl porphyrins. The k cat of methyl and n-octyl porphyrins are identical, but n-octyl is −10-fold more lipophilic. Therefore, the 30-fold improvement in bioavailability appears to be due to the increase in lipophilicity. MnTDMOE-2-ImP 5+ and longer-chain Mn(III) N-alkylpyridylporphyrins may offer better treatment for oxidative stress injuries than the previously studied MnTE-2-PyP 5+ and MnTDE-2-ImP 5+ .