4-methylthio-3-(3-methyl-4,5-dihydroisoxazol-5-yl)-2-ethylbromobenzene | 391199-95-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-methylthio-3-(3-methyl-4,5-dihydroisoxazol-5-yl)-2-ethylbromobenzene
• 英文别名: 5-(3-Bromo-2-ethyl-6-methylsulfanylphenyl)-3-methyl-4,5-dihydro-1,2-oxazole
• CAS: 391199-95-4
• 化学式: C₁₃H₁₆BrNOS
• 分子量: 314.246
• InChiKey: KUCMNHNMQAUTQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  46.9
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Preparation of -4-thioalkybrobenzene derivatives
  申请人：——

  公开号：US20030149276A1

  公开（公告）日：2003-08-07

  A process for preparing 4 -thioalkylbromobenzene derivatives of the formula I 1 where: R 1 is C 1 -C 6 -alkyl, C 1 -C 6 -haloalkyl, C 1 -C 6 -alkoxy, C 1 -C 6 -haloalkoxy, C 3 -C 8 -cycloalkyl, halogen, R 2 is C 1 -C 6 -alkyl, C 1 -C 6 -alkoxy, C 3 -C 8 -cycloalkyl, C 2 -C 6 -alkenyl, cyano or a heterocyclic radical, R 3 is C 1 -C 6 -alkyl, which comprises reacting a compound of the formula II, 2 in which R 1 and R 2 are as defined above, with a dialkyl disulfide of the formula III R 3 —S—S—R 3 III in the presence of a nitrite and a catalyst in a suitable solvent is described.

  一种制备公式I1中4-硫代烷基溴苯衍生物的方法，其中： R1为C1-C6烷基，C1-C6卤代烷基，C1-C6烷氧基，C1-C6卤代烷氧基，C3-C8环烷基，卤素， R2为C1-C6烷基，C1-C6烷氧基，C3-C8环烷基，C2-C6烯基，氰基或杂环基， R3为C1-C6烷基，包括在合适溶剂中，在一种适当的催化剂和亚硝酸盐的存在下，将公式II中的化合物2与公式III中的二烷基二硫化物进行反应的方法。
• PREPARATION OF 4-THIOALKYLBROMOBENZENE DERIVATIVES
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP1301469A1

  公开（公告）日：2003-04-16
• US7301034B2
  申请人：——

  公开号：US7301034B2

  公开（公告）日：2007-11-27
• [EN] PREPARATION OF 4-THIOALKYLBROMOBENZENE DERIVATIVES<br/>[FR] PREPARATION OF DERIVES DE 4-THIOALKYLBROMOBENZENE
  申请人：BASF AG

  公开号：WO2002006211A1

  公开（公告）日：2002-01-24

  A process for preparing 4-thioalkylbromobenzene derivatives of the formula I, (I), where: R1 is C1-C6-alkyl, C1-C6-haloalkyl, C1-C6-alkoxy, C1-C6-haloalkoxy, C3-C8-cycloalkyl, halogen; R2 is C1-C6-alkyl, C1-C6-alkoxy, C3-C8-cycloalkyl, C2-C6-alkenyl, cyano or a heterocyclic radical; R3 is C1-C6-alkyl, which comprises reacting a compound of the formula II, (II), in which R?1 and R2¿ are as defined above, with a dialkyl disulfide of the formula III, (III), in the presence of a nitrite and a catalyst in a suitable solvent is described.