3-(phenylsulfonyl)-2-methylenepropan-1-al | 167390-74-1

• 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: 3-(phenylsulfonyl)-2-methylenepropan-1-al
• 英文别名: 2-[(Benzenesulfonyl)methyl]prop-2-enal；2-(benzenesulfonylmethyl)prop-2-enal
• CAS: 167390-74-1
• 化学式: C₁₀H₁₀O₃S
• 分子量: 210.254
• InChiKey: QMWBEPZGOMZYBN-UHFFFAOYSA-N

物化性质

• 沸点：
  415.1±45.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(phenylsulfonyl)-2-methylenepropan-1-al 在 cerium(III) chloride 、 硼氘化钠 作用下， 以 乙醇 为溶剂， 生成 2-((phenylsulfonyl)methyl)prop-2-en-1-d-1-ol
  参考文献：
  名称：

  Facile construction of substituted bicyclo [n.3.1] alkanones and the synthesis of a 12-membered dilactone via a new functionalized pentadienoic ester

  摘要：

  4-Hydroxymethyl-2,4-pentadienoate was effectively synthesized and used for a synthetic entry to keto bridged bicyclo [n.3.1] alkanones and for the synthesis of a 12-membered macrodilide characterized by two trans double bonds, part of two vinylogous alpha-methylene lactone units.

  DOI：

  10.1016/0040-4039(94)02470-v
• 作为产物：
  描述：

  3-hydroxy 2-methylene propanesulfonyl benzene 在 jones reagent 作用下， 生成 3-(phenylsulfonyl)-2-methylenepropan-1-al
  参考文献：
  名称：

  Facile construction of substituted bicyclo [n.3.1] alkanones and the synthesis of a 12-membered dilactone via a new functionalized pentadienoic ester

  摘要：

  4-Hydroxymethyl-2,4-pentadienoate was effectively synthesized and used for a synthetic entry to keto bridged bicyclo [n.3.1] alkanones and for the synthesis of a 12-membered macrodilide characterized by two trans double bonds, part of two vinylogous alpha-methylene lactone units.

  DOI：

  10.1016/0040-4039(94)02470-v

文献信息

• Baker's yeast mediated biohydrogenation of sulphur-functionalised methacrolein derivatives. Stereochemical aspects of the reaction and preparation of the two enantiomers of useful C4 bifunctional chiral synthons
  作者：Stefano Serra、Claudio Fuganti

  DOI：10.1016/s0957-4166(01)00383-4

  日期：2001.8

  baker's yeast mediated reduction of sulphur-functionalised methacroleins 11, 15 and 18 leads to the preparation of the bifunctional methyl branched C4 chiral synthons 6 and 7. The stereochemical aspects of the biohydrogenation have been investigated. Both the oxidation state of sulphur and the isomeric position of the double bond affected the enantioselectivity of the reduction strongly, thus, offering

  面包酵母介导的还原硫官能methacroleins的11，15层18的引线的双官能甲基的制备支化的C 4个性合成子6和7。已经研究了生物氢化的立体化学方面。硫的氧化态和双键的异构体位置都强烈影响还原的对映选择性，因此，提供了进入6和7两种对映体形式的途径。