1-(烯丙基磺酰基)-2-甲基苯 | 68276-70-0

• 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: 1-(烯丙基磺酰基)-2-甲基苯
• 英文名称: 1-(allylsulfonyl)-2-methylbenzene
• 英文别名: allyl-o-tolyl sulfone；Allyl-o-tolyl-sulfon；Tolyl allyl sulphone；1-methyl-2-prop-2-enylsulfonylbenzene
• CAS: 68276-70-0
• 化学式: C₁₀H₁₂O₂S
• 分子量: 196.27
• InChiKey: UJHVJLCBBNEPCJ-UHFFFAOYSA-N

物化性质

• 沸点：
  168-170 °C(Press: 8 Torr)
• 密度：
  1.1673 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(烯丙基磺酰基)-2-甲基苯 在 氢溴酸 、 溶剂黄146 作用下， 生成 (2-bromo-propyl)-o-tolyl sulfone
  参考文献：
  名称：

  Troeger; Voigtlaender-Tetzner, Journal fur praktische Chemie (Leipzig 1954), 1896, vol. <2> 54, p. 531

  摘要：

  DOI：
• 作为产物：
  描述：

  2-巯基甲苯 在 双氧水 、 sodium ethanolate 、 溶剂黄146 作用下， 生成 1-(烯丙基磺酰基)-2-甲基苯
  参考文献：
  名称：

  Karaulowa; Meilanowa; Galpern, Zhurnal Obshchei Khimii, 1957, vol. 27, p. 3034

  摘要：

  DOI：

文献信息

• Linear-Selective Rhodium(I)-Catalyzed Addition of Arylboronic Acids to Allyl Sulfones
  作者：Gavin C. Tsui、Mark Lautens

  DOI：10.1002/anie.201004345

  日期：2010.11.15

  One step further: The rhodium(I)‐catalyzed addition of readily available arylboronic acids to allyl sulfones affords the linear (formal) hydroarylated products in good yields and excellent regioselectivities. The reaction broadens the scope of unactivated alkenes that can participate in rhodium‐catalyzed addition reactions.

  进一步的步骤：将铑（I）催化的易得的芳基硼酸加到烯丙基砜中，可得到线性（正型）氢芳基化产物，收率高，区域选择性好。该反应拓宽了可参与铑催化加成反应的未活化烯烃的范围。
• Preparation of isoxazolin-3-ylacylbenzenes
  申请人：——

  公开号：US20030018200A1

  公开（公告）日：2003-01-23

  A process is described for preparing isoxazoles of the formula I 1 where the substituents are as defined below: R 1 is hydrogen, C 1 -C 6 -alkyl, R 2 is C 1 -C 6 -alkyl, R 3 , R 4 , R 5 are hydrogen, C 1 -C 6 -alkyl, or R 4 and R 5 together form a bond, R 6 is a heterocyclic ring, n is 0, 1 or 2; which comprises preparing an intermediate of the formula VI 2 where R1, R3, R4 and R5 are as defined above, followed by halogenation, thiomethylation, oxidation and acylation to give compounds of the formula I. Also novel intermediates for preparing the compounds of the formula I and novel processes for preparing the intermediates are described.

  本文描述了一种制备式I1中取代基定义如下的异噁唑的过程： R1为氢、C1-C6烷基， R2为C1-C6烷基， R3、R4、R5为氢、C1-C6烷基，或R4和R5共同形成一个键， R6为杂环环， n为0、1或2； 其中包括制备式VI2的中间体，其中R1、R3、R4和R5如上所定义，随后进行卤代反应、硫甲基化、氧化和酰化，以得到式I的化合物。 还描述了制备式I的新型中间体和制备中间体的新型过程。
• Process and novel intermediates for preparing isoxazolin-3-ylacyl benzenes
  申请人：——

  公开号：US20030028033A1

  公开（公告）日：2003-02-06

  The present invention describes a process for preparing isoxazoles of the formula I 1 where: R 1 is hydrogen, C 1 -C 6 -alkyl, R 2 is hydrogen, C 1 -C 6 -alkyl, R 3 , R 4 , R 5 are each hydrogen, C 1 -C 6 -alkyl or R 4 and R 5 together form a bond, R 6 is a heterocyclic ring, n is 0, 1 or 2; which comprises preparing an intermediate of the formula VI 2 where R 1 , R 3 , R 4 and R 5 are each as defined above, followed by halogenation, thiomethylation, oxidation and acylation to give compounds of the formula I. Furthermore, the invention describes novel intermediates for preparing the compounds of the formula I and novel processes for preparing the intermediates.

  本发明描述了一种制备式I1异构体的过程，其中：R1为氢、C1-C6烷基，R2为氢、C1-C6烷基，R3、R4、R5分别为氢、C1-C6烷基或R4和R5共同形成键，R6为杂环环，n为0、1或2；该过程包括制备式VI2的中间体，其中R1、R3、R4和R5均如上所述，随后进行卤代反应、硫代甲基化、氧化和酰化，以得到式I的化合物。此外，本发明还描述了制备式I化合物的新型中间体和制备中间体的新型过程。
• Preparation of Isoxazolin-3-Ylacylbenzene
  申请人：——

  公开号：US20030216580A1

  公开（公告）日：2003-11-20

  A process is described for preparing isoxazoles of the formula I 1 where the substituents are as defined below: R 1 is hydrogen, C 1 -C 6 -alkyl, R 2 is C 1 -C 6 -alkyl, R 3 , R 4 , R 5 are hydrogen, C 1 -C 6 -alkyl, or R 4 and R 5 together form a bond, R 6 is a heterocyclic ring, n is 0, 1 or 2; which comprises preparing an intermediate of the formula VI 2 where R1, R3, R4 and R5 are as defined above, followed by halogenation, thiomethylation, oxidation and acylation to give compounds of the formula I. Also novel intermediates for preparing the compounds of the formula I and novel processes for preparing the intermediates are described.

  本文介绍了一种制备式I1的异噁唑的方法，其中取代基的定义如下：R1为氢，C1-C6烷基，R2为C1-C6烷基，R3、R4、R5为氢，C1-C6烷基，或R4和R5共同形成键，R6为杂环环，n为0、1或2；该方法包括制备式VI2的中间体，其中R1、R3、R4和R5如上定义，然后进行卤代、硫代甲基化、氧化和酰化，以得到式I的化合物。此外，还描述了制备式I化合物的新型中间体和制备中间体的新型方法。
• PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES
  申请人：Rheinheimer Joachim

  公开号：US20100105920A1

  公开（公告）日：2010-04-29

  A process is described for preparing isoxazoles of the formula I where the substituents are as defined below: R 1 is hydrogen, C 1 -C 6 -alkyl, R 2 is C 1 -C 6 -alkyl, R 3 , R 4 , R 5 are hydrogen, C 1 -C 6 -alkyl, or R 4 and R 5 together form a bond, R 6 is a heterocyclic ring, n is 0, 1 or 2; which comprises preparing an intermediate of the formula VI where R1, R3, R4 and R5 are as defined above, followed by halogenation, thiomethylation, oxidation and acylation to give compounds of the formula I. Also novel intermediates for preparing the compounds of the formula I and novel processes for preparing the intermediates are described.

  本发明提供了一种制备公式I中所述取代基为以下定义的异噁唑的方法：R1为氢、C1-C6烷基，R2为C1-C6烷基，R3、R4、R5为氢、C1-C6烷基，或者R4和R5共同形成一个键，R6为杂环环，n为0、1或2。该方法包括制备公式VI的中间体，其中R1、R3、R4和R5如上所定义，随后进行卤代反应、硫代甲基化反应、氧化反应和酰化反应，以得到公式I的化合物。同时，本发明还描述了用于制备公式I的新型中间体以及制备中间体的新型方法。