环戊酮肟甲苯磺酸盐 | 10442-97-4

• 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: 环戊酮肟甲苯磺酸盐
• 英文名称: cyclopentanone oxime tosylate
• 英文别名: cyclopentanone-[O-(toluene-4-sulfonyl)-oxime ]；Cyclopentanon-[O-(toluol-4-sulfonyl)-oxim]；Cyclopentanon-oxim-p-toluolsulfonsaeureester；Cyclopentanon-oxim-p-toluolsulfonat；Cyclopentanonoxim-tosylat；(Cyclopentylideneamino) 4-methylbenzenesulfonate
• CAS: 10442-97-4
• 化学式: C₁₂H₁₅NO₃S
• 分子量: 253.322
• InChiKey: VCSIAHGYVVXKQS-UHFFFAOYSA-N

物化性质

• 熔点：
  26-28 °C
• 沸点：
  384.7±35.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  64.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  环戊酮肟甲苯磺酸盐 在 silica gel 作用下， 以 氯仿 为溶剂， 以45%的产率得到哌啶酮
  参考文献：
  名称：

  Costa, A.; Mestres, R.; Riego, J. M., Synthetic Communications, 1982, vol. 12, # 13, p. 1003 - 1006

  摘要：

  DOI：
• 作为产物：
  描述：

  对甲苯磺酰氯 、 alkaline earth salt of/the/ methylsulfuric acid 生成 环戊酮肟甲苯磺酸盐
  参考文献：
  名称：

  Beckmann Rearrangement. I. Syntheses of Oxime p-Toluenesulfonates and Beckmann Rearrangement in Acetic Acid, Methyl Alcohol and Chloroform

  摘要：

  DOI：

  10.1021/ja01554a076

文献信息

• BECKMANN-Umlagerung und Fragmentierung. 1. Teil. Mechanismus sowie Nachweis der Zwischenstufen Fragmentierungsreaktionen. 7. Mitteilung
  作者：C. A. Grob、H. P. Fischer、W. Raudenbusch、J. Zergenyi

  DOI：10.1002/hlca.19640470411

  日期：——

  The mechanism of the BECKMANN rearrangement and the fragmentation of ketoximes 1 has been studied by determining rate constants and products in «80%» ethanol of several anti-alkyl-, -cycloalkyl-, -aralkyl- and -phenyl-ketoxime tosylates with stationary syn-methyl and -phenyl substituents. The ratio of fragmentation to amide formation is not related to reaction rate, but increases with the stability

  贝克曼重排和酮肟1的碎片的机制进行了研究，通过确定在数“80％”乙醇的速率常数和产品抗烷基- ， -环烷基- ，和-aralkyl- -苯基-酮肟甲苯磺酸酯与静止的顺-甲基和-苯基取代基。裂解与酰胺形成的比例与反应速率无关，但随所形成的碳鎓离子R +的稳定性而增加，这由相应的烷基氯化物RC1的溶剂分解速率所反映。因此，在决定速率的迁移步骤之后会发生腈的碎裂。
• MICROWAVE-ASSISTED RAPID DEHYDRATION OF ALDOXIMES TO NITRILES ON A SOLID SUPPORT
  作者：M. Ghiaci、K. Bakhtiari

  DOI：10.1081/scc-100104327

  日期：2001.1

  p-toluenesulfonyl chloride has been proved out to be an efficient reagent for conversion of aldoximes to the corresponding nitriles under microwave irradiation. Extending the procedure to ketoximes, a 20–40% yield of Beckmann rearranged product was obtained.

  对甲苯磺酰氯已被证明是在微波辐射下将醛肟转化为相应腈的有效试剂。将程序扩展到酮肟，贝克曼重排产物的产率为 20-40%。
• LITHOGRAPHIC PRINTING PLATE PRECURSOR AND LITHOGRAPHIC PRINTING METHOD
  申请人：IWAI Yu

  公开号：US20080087183A1

  公开（公告）日：2008-04-17

  A lithographic printing plate precursor includes an image-recording layer which is capable of being removed with at least one of printing ink and dampening water and contains a compound represented by the following formula (I), a sensitizing dye and a compound having at least one addition-polymerizable ethylenically unsaturated bond: wherein R 1 represents a monovalent substituent, R 2 , R 3 , R 4 , R 5 and R 6 each independently represents a hydrogen atom, a halogen atom or a monovalent substituent, and X − represents an anion.

  一种光刻印刷版前体包括一个图像记录层，该层能够被印刷油墨和润湿水中的至少一种去除，并含有以下式（I）所代表的化合物，一种敏化染料和至少一种含有至少一个加成聚合乙烯基不饱和键的化合物：其中R1代表一个单价取代基，R2、R3、R4、R5和R6各自独立地代表氢原子、卤素原子或单价取代基，X⁻代表一个阴离子。
• POLYMERIZABLE COMPOSITION AND LITHOGRAPHIC PRINTING PLATE PRECURSOR
  申请人：Sugasaki Atsushi

  公开号：US20090053653A1

  公开（公告）日：2009-02-26

  A polymerizable composition comprising: a polyurethane resin synthesized by using a compound represented by the following formula (I) as one of starting materials; a photopolymerization or thermal polymerization initiator; and an addition-polymerizable compound having an ethylenically unsaturated bond: wherein X represents a tri- or higher valent atom; R 1 and R 2 each independently represent a single bond or an alkylene group optionally having a substituent, provided that R 1 and R 2 do not represent a single bond at a same time; A represents a straight chain linking group; and n is an integer of from 1 to 5.

  一种可聚合的组合物，包括：由使用以下式(I)所表示的化合物之一作为起始材料合成的聚氨酯树脂；光聚合或热聚合引发剂；以及具有乙烯基不饱和键的加成聚合化合物：其中，X代表三价或更高价原子；R1和R2各自独立地表示单键或具有取代基的烷基基团，但R1和R2不能同时表示单键；A表示直链连接基团；n为1到5的整数。
• Polymerizable composition and planographic printing plate precursor using the same, alkalisoluble polyrethane resin, an process for producing diol compound
  申请人：FUJIFILM Corporation

  公开号：EP2042532A2

  公开（公告）日：2009-04-01

  A polyurethane resin is synthesized from a compound represented by the following Formula (1), a polymerizable composition includes the polyurethane resin, a planographic printing plate precursor includes a photosensitive layer including the composition, and a method produces a diol compound that can be used as a raw material of the polyurethane resin. In Formula (1), R1 and R2 each independently represent a single bond or an alkylene group optionally having a substituent, R3 represents a hydrogen atom or an alkyl group, R4 represents a hydrogen atom or an alkyl group, and A represents a divalent or higher linking group, provided that R1 and R2 are not both a single bond.

  一种聚氨酯树脂是由下式（1）表示的化合物合成的，一种可聚合组合物包括该聚氨酯树脂，一种平版印刷板前体包括包括该组合物的感光层，以及一种生产可用作聚氨酯树脂原料的二元醇化合物的方法。在式（1）中，R1 和 R2 各自独立地代表单键或任选具有取代基的亚烷基，R3 代表氢原子或烷基，R4 代表氢原子或烷基，A 代表二价或更高的连接基团，条件是 R1 和 R2 并非都是单键。