(4-methoxy-3-methyl-but-3-ene-1-sulfonyl)benzene | 646038-58-6

• 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: (4-methoxy-3-methyl-but-3-ene-1-sulfonyl)benzene
• 英文别名: (4-Methoxy-3-methylbut-3-ene-1-sulfonyl)benzene；(4-methoxy-3-methylbut-3-enyl)sulfonylbenzene
• CAS: 646038-58-6
• 化学式: C₁₂H₁₆O₃S
• 分子量: 240.323
• InChiKey: DDJSBAPJNKPVFC-UHFFFAOYSA-N

物化性质

• 沸点：
  406.7±45.0 °C(Predicted)
• 密度：
  1.125±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  (4-methoxy-3-methyl-but-3-ene-1-sulfonyl)benzene 在 sodium tetrahydroborate 、 高氯酸 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 2.0h， 生成 (R,S)-4-(phenylsulfonyl)-2-methyl-1-butanol
  参考文献：
  名称：

  Synthesis of deuterated isotopomers of 7α- and (25R,S)-26-hydroxycholesterol, internal standards for in vivo determination of the two biosynthetic pathways of bile acids

  摘要：

  Deuterated isotopomers of 7alpha- and (25R,S)-26-hydroxycholesterol, internal standards for in vivo determination of the two biosynthetic pathways of bile acids formation from cholesterol, were prepared from [2,2,3,4,4,6-H-2(6)]-cholesterol and (20S)-[7,7,21,21-H-2(4)]-3beta-(tert-butyldimethylsilyl)oxy-20-methylpregna-5-en-21-ol, respectively. (C) 2003 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/s0039-128x(03)00116-8
• 作为产物：
  描述：

  4-(phenylsulfonyl)butan-2-one 、 甲氧基甲基三苯基氯化膦 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.33h， 以70%的产率得到(4-methoxy-3-methyl-but-3-ene-1-sulfonyl)benzene
  参考文献：
  名称：

  Synthesis of deuterated isotopomers of 7α- and (25R,S)-26-hydroxycholesterol, internal standards for in vivo determination of the two biosynthetic pathways of bile acids

  摘要：

  Deuterated isotopomers of 7alpha- and (25R,S)-26-hydroxycholesterol, internal standards for in vivo determination of the two biosynthetic pathways of bile acids formation from cholesterol, were prepared from [2,2,3,4,4,6-H-2(6)]-cholesterol and (20S)-[7,7,21,21-H-2(4)]-3beta-(tert-butyldimethylsilyl)oxy-20-methylpregna-5-en-21-ol, respectively. (C) 2003 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/s0039-128x(03)00116-8

文献信息

• Synthesis of deuterated isotopomers of 7α- and (25R,S)-26-hydroxycholesterol, internal standards for in vivo determination of the two biosynthetic pathways of bile acids
  作者：P Ciuffreda

  DOI：10.1016/s0039-128x(03)00116-8

  日期：2003.10

  Deuterated isotopomers of 7alpha- and (25R,S)-26-hydroxycholesterol, internal standards for in vivo determination of the two biosynthetic pathways of bile acids formation from cholesterol, were prepared from [2,2,3,4,4,6-H-2(6)]-cholesterol and (20S)-[7,7,21,21-H-2(4)]-3beta-(tert-butyldimethylsilyl)oxy-20-methylpregna-5-en-21-ol, respectively. (C) 2003 Elsevier Inc. All rights reserved.