乙磺酸丁酯 | 14245-63-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 中文名称: 乙磺酸丁酯
• 英文名称: butyl ethanesulfonate
• 英文别名: ethanesulfonic acid butyl ester；Aethansulfonsaeure-n-butylester；Aethansulfonsaeure-butylester；Aethansulfonsaeurebutylester；n-Butyl-ethansulfonat；Ethanesulfonic acid, butyl ester
• CAS: 14245-63-7
• 化学式: C₆H₁₄O₃S
• 分子量: 166.241
• InChiKey: KNQVIXLYXKKEEB-UHFFFAOYSA-N

物化性质

• 沸点：
  261.3±9.0 °C(Predicted)
• 密度：
  1.072±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙磺酸丁酯 在 三氯化硼 作用下， 生成 Aethansulfonsaeure-dichlorborylester
  参考文献：
  名称：

  154.氯化硼与磺酸酯的相互作用

  摘要：

  DOI：

  10.1039/jr9630000826
• 作为产物：
  描述：

  乙基磺酰氯 、 正丁醇 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 乙磺酸丁酯
  参考文献：
  名称：

  1-Alkyl-3-methylimidazolium alkanesulfonate ionic liquids, [CnH2n+1mim][CkH2k+1SO3]: synthesis and physicochemical properties

  摘要：

  合成了一系列1-烷基-3-甲基咪唑硫酸烷基酯离子液体[Cnmim][CkSO3]，其中阳离子和阴子的烷基链长度均可变（n = 1-6，8 或 10；k = 1-4 或 6），其中有16种为新型离子液体。通过1H和13C核磁共振波谱学以及质谱分析表征了这些离子液体。测定了它们的粘度和密度随温度变化的函数关系、熔点和分解温度。无论是实验测得的分子体积还是计算得出的，都发现与烷基链长度之和（n + k）呈线性相关。

  DOI：

  10.1039/b910177m

文献信息

• A Simple and Practical Method for the Preparation and Purity Determination of Halide-Free Imidazolium Ionic Liquids
  作者：Claúdia C. Cassol、Günter Ebeling、Bauer Ferrera、Jairton Dupont

  DOI：10.1002/adsc.200505295

  日期：2006.1

  PF3(CF2CF3)3, CF3SO3 and N(CF3SO2)2] by simple reaction of anions, salts, or acids in water at room temperature. Extraction with dichloromethane, filtration through a short basic alumina column and solvent evaporation affords the desired ionic liquids in 80–95% yield. The purity (>99.4%) of these ionic liquids can be determined by 1H NMR spectra using the intensity of the 13C satellites of the imidazolium

  N-烷基咪唑与烷基磺酸盐在室温下的反应以高收率得到作为结晶固体的1，3-二烷基咪唑鎓链烷磺酸盐。链烷磺酸根阴离子很容易被一系列其他阴离子[BF 4，PF 6，PF 3（CF 2 CF 3）3，CF 3 SO 3和N（CF 3 SO 2）2取代通过室温下水中的阴离子，盐或酸的简单反应。用二氯甲烷萃取，通过短的碱性氧化铝柱过滤，并蒸发溶剂，以80-95％的产率提供所需的离子液体。这些离子液体的纯度（> 99.4％）可以通过1 H NMR光谱使用咪唑N-甲基的13 C卫星的强度作为内标来确定。
• Solvent and Steric Effects on the Solvolysis of Polyvinylsulfonic Acid Esters
  作者：Sadao Yoshikawa、Oh-Kil Kim、Takeshi Hori

  DOI：10.1246/bcsj.39.1937

  日期：1966.9

  which contributed to the initial rate enhancement, while the latter indicates the aggregation of the polymer molecules owing to their strong hydrophobic character. The solvolysis rates, kp, for polymeric sulfonic esters were much greater than those, km, for monomeric analogs in all cases except isopropyl and n-butyl esters in 20% aqueous acetone. The relative rate (kp/km) increased with an increase

  乙磺酸酯的溶剂分解遵循密切的一级动力学，而聚乙烯磺酸酯的情况根据溶剂组成给出强烈弯曲的一级曲线。丙酮含量高时，聚磺酸酯的溶剂分解速率随着时间的推移逐渐降低，而含水量高时，溶剂分解在反应开始时受到抑制，但随着反应时间的延长而显着加速。前一个发现表明空间拥挤的释放有助于初始速率提高，而后者表明聚合物分子由于其强疏水性而聚集。聚合磺酸酯的溶剂分解速率 kp 远大于那些，km，对于所有情况下的单体类似物，除了异丙酯和正丁酯在 20% 丙酮水溶液中。相对速率（kp/km）随着丙酮含量的增加而增加，并且随着甲基酯的增加而明显增加。
• Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa
  申请人：Alstermark Christer

  公开号：US20080214495A1

  公开（公告）日：2008-09-04

  The invention relates to compounds of formula (I), wherein R 1 and R 3 are independently selected from carbon and nitrogen; R 2 is oxo or thioxo; n is 0, 1 or 2; each R 10 is independently selected from hydrogen and C 1-3 alkyl; R 4 and R 5 are each selected from carbon and nitrogen, wherein at least one of R 4 and R 5 is nitrogen; R 6 is hydrogen or oxo; R 7 is an aliphatic, partially saturated or aromatic carbocyclic ring, said carbocyclic ring having 0, 1 or 2 hetero nitrogen; m is 0, 1 or 2; each R 11 is independently selected from hydrogen, hydroxy, oxo, C 1-5 alkyl, carboxy, hydroxyC 1-5 alkyl, carboxyC 1-5 alkyl, C 1-5 alkoxy-oxoC 1-5 alkyl, carbamoyl, C 1-5 alkylcarbamoyl, di (C 1-5 alkyl)carbamoyl, carbamoylC 1-4 alkyl,C 1-5 alkylcarbamoylC 1-4 alkyl, di(C 1-5 alkyl)carbamoylC 1-4 alkyl, hydroxyC 1-5 alkylcarbamoyl, C 1-5 alkoxyC 1-5 alkylcarbamoyl, hydroxyC 1-5 alkylcarbamoylC 1-4 alkyl, C 1-5 alkoxyC 1-5 alkylcarbamoylC 1-4 alkyl, CONR 80 (CH 2 ) x S(O) p R90, CONH(CH 2 ) q NR 100 R 100 , —C 1-5 alkyl-Y 1 , —COOCHR 170 R 180 and —CON R 170 R 180 ; R 8 is a bond, C 1-4 alkylene or C 2-6 alkenylene; R 9 is an aromatic ring system having 0, 1 or 2 hetero atoms; wherein R 9 is substituted by 0 or 1 halogen; or a pharmaceutically acceptable salt thereof, said compounds possess antithrombotic and anticoagulant properties and are accordingly useful in methods of treatment of humans or animals. The invention also relates to processes for the preparation of the compounds, to their use, to pharmaceutical compositions comprising them, to their use in the manufacture of medicaments for use in the production of an antithrombotic or anticoagulant effect, and to combinations comprising them.

  本发明涉及式(I)的化合物，其中R1和R3独立选择自碳和氮；R2为氧或硫氧；n为0、1或2；每个R10独立选择自氢和C1-3烷基；R4和R5各自选择自碳和氮，其中至少一个是氮；R6为氢或氧；R7为脂肪族、部分饱和或芳香碳环，所述碳环具有0、1或2个杂原子氮；m为0、1或2；每个R11独立选择自氢、羟基、氧、C1-5烷基、羧基、羟基C1-5烷基、羧基C1-5烷基、C1-5烷氧基-氧代C1-5烷基、氨基、C1-5烷基氨基、二(C1-5烷基)氨基、氨基C1-4烷基、C1-5烷基氨基C1-4烷基、二(C1-5烷基)氨基C1-4烷基、羟基C1-5烷基氨基、C1-5烷氧基C1-5烷基氨基、羟基C1-5烷基氨基C1-4烷基、C1-5烷氧基C1-5烷基氨基C1-4烷基、CONR80(CH2)xS(O)pR90、CONH(CH2)qNR100R100、-C1-5烷基-Y1、-COOCHR170R180和-CON R170R180；R8为键、C1-4烷基或C2-6烯基；R9为具有0、1或2个杂原子的芳香环系；其中R9由0或1个卤素取代；或其药学上可接受的盐，所述化合物具有抗血栓和抗凝作用，因此在人类或动物的治疗方法中有用。本发明还涉及制备该化合物的方法、它们的用途、包含它们的制药组合物、用于制造用于产生抗血栓或抗凝效应的药物的制剂的用途以及包含它们的组合物。
• PROCESS FOR THE PREPARATION OF ONIUM SALTS WITH ALKYL- OR ARYLSULFONATE ANIONS OR ALKYL- OR ARYLCARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT
  申请人：Ignatyev Nikolai (Mykola)

  公开号：US20090253905A1

  公开（公告）日：2009-10-08

  The invention relates to a method for producing onium salts comprising alkyl anions or aryl sulfonate anions or alkyl carboxylate anions or acryl carboxylate anions by reacting an onium halide with an alkyl silyl ester or trialkyl silyl ester of an alkyl sulfonic acid or aryl sulfonic acid or an alkyl carboxylic acid or aryl carboxylic acid or the anhydrides thereof.

  本发明涉及一种生产含有烷基阴离子或芳基磺酸盐阴离子或烷基羧酸盐阴离子或丙烯酸盐阴离子的离子盐的方法，其通过将离子卤化物与烷基硅酯或烷基磺酸或芳基磺酸的三烷基硅酯或烷基羧酸或芳基羧酸或其酐进行反应而得到。
• Polymeric electrode coated with reaction product or organosulfur compound
  申请人：AlliedSignal Inc.

  公开号：EP0143968A2

  公开（公告）日：1985-06-12

  Conjugated backbone polymer electrodes such as polyacetylene anodes are coated with the reaction product of the reduced polymer with a sultone or sulfonate. Such coating may have occurred by using a sultone such as propane sultone in the electrolyte of a battery with such an anode, or in electrode preparation. The coating improves the stability of the electrode, especially when the polymer is highly reduced during battery use, whether the sultone remains as all or part of the electrolyte, or the sultone is replaced by a solvent such as propylene carbonate in the electrolyte for the battery containing coated electrode.

  共轭骨架聚合物电极（如聚乙炔阳极）上涂有还原聚合物与磺内酯或磺酸盐的反应产物。这种涂层可能是在使用这种阳极的电池的电解液中或在电极制备过程中使用了丙烷磺内酯等磺内酯而形成的。涂层可提高电极的稳定性，特别是当聚合物在电池使用过程中被高度还原时，无论在含有涂层电极的电池的电解液中，是将全部或部分磺化酮保留，还是用碳酸丙烯酯等溶剂代替磺化酮。