4-(octylthio)benzenamine | 59960-76-8

• 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-(octylthio)benzenamine
• 英文别名: 4-octylthiophenylamine；4-Octylsulfanylaniline
• CAS: 59960-76-8
• 化学式: C₁₄H₂₃NS
• mdl: MFCD11635177
• 分子量: 237.409
• InChiKey: VEFJAPPHGZWGAA-UHFFFAOYSA-N

物化性质

• 沸点：
  372.4±15.0 °C(Predicted)
• 密度：
  0.99±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  51.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  naphthalene-1,7-diyl bis(4-formylbenzoate) 、 4-(octylthio)benzenamine 以 CH₃Cl 为溶剂， 生成
  参考文献：
  名称：

  Switchable Columnar Phase Formed from Bent-Shaped Molecules with Low Bent-Angle Naphthalene Central Core and Alkylthio Tail

  摘要：

  Novel low-angle bent molecules with 1,7-naphthalene central core and alkylthio tails form the hexagonal columnar phase as well as the well-known B4 phase. The columnar phase has a large two-dimensional hexagonal lattice of 65-70 angstrom and exhibits the antiferroelectric switching with the spontaneous polarization along the column axis. The column is considered to be constructed by the cylindrically enclosed layer.

  DOI：

  10.1080/15421406.2011.581531
• 作为产物：
  描述：

  4-乙酰氨基苯硫酚 在 盐酸 、 乙醇 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 4-(octylthio)benzenamine
  参考文献：
  名称：

  Switchable Columnar Phase Formed from Bent-Shaped Molecules with Low Bent-Angle Naphthalene Central Core and Alkylthio Tail

  摘要：

  Novel low-angle bent molecules with 1,7-naphthalene central core and alkylthio tails form the hexagonal columnar phase as well as the well-known B4 phase. The columnar phase has a large two-dimensional hexagonal lattice of 65-70 angstrom and exhibits the antiferroelectric switching with the spontaneous polarization along the column axis. The column is considered to be constructed by the cylindrically enclosed layer.

  DOI：

  10.1080/15421406.2011.581531

文献信息

• Facile Preparation of Aryl Sulfides Using Palladium Catalysis under Mild Conditions
  作者：Tatsuo Okauchi、Kouji Kuramoto、Mitsuru Kitamura

  DOI：10.1055/s-0030-1259012

  日期：2010.12

  A convenient method for C-S cross-coupling of aryl bromides with various thiols has been developed that involves the use of a 1,1'-bis(diphenylphosphino)ferrocene (DPPF)-ligated palladium complex with N,N-diisopropylethylamine (DIPEA) as the base. This coupling is tolerant of a wide range of functional groups, including hydroxy, amino, cyano, nitro, formyl, and carboxyl groups.

  已开发出一种用于芳基溴化物与各种硫醇的 CS 交叉偶联的便捷方法，该方法涉及使用 1,1'-双（二苯基膦基）二茂铁 (DPPF)-连接的钯配合物与 N,N-二异丙基乙胺 (DIPEA) 作为基地。这种偶联可耐受多种官能团，包括羟基、氨基、氰基、硝基、甲酰基和羧基。
• One-Pot Synthesis of Amine-Substituted Aryl Sulfides and Benzo[<i>b</i>]thiophene Derivatives
  作者：Zhongyu Duan、Sadananda Ranjit、Xiaogang Liu

  DOI：10.1021/ol100816g

  日期：2010.5.21

  A series of amine-substituted aryl sulfides have been synthesized from nitroaryl halides via a simple one-pot procedure involving metal-free C S cross-coupling and in situ nitro group reduction. Various nitroaryl halides were reacted with thiols in recyclable poly(ethylene glycol) to afford the amine-substituted aryl sulfides in high yield. Additionally, the cross-coupling reactions of nitro- and aldehyde-substituted aryl halides with benzyl thiols under the same reaction conditions were demonstrated to afford benzothiazole and phenylbenzo[b]thiophene derivatives.
• Heppke; Parghi; Sawade, Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 2001, vol. 352, p. 745/311-752/318
  作者：Heppke、Parghi、Sawade

  DOI：——

  日期：——