N-[(2-methylsulfanylphenyl)methyl]-2-phenylsulfanylethanamine | 1258493-82-1

• 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: N-[(2-methylsulfanylphenyl)methyl]-2-phenylsulfanylethanamine
• CAS: 1258493-82-1
• 化学式: C₁₆H₁₉NS₂
• 分子量: 289.466
• InChiKey: XXXLKAIIDDKDJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  六氟磷酸银 、 N-[(2-methylsulfanylphenyl)methyl]-2-phenylsulfanylethanamine 、 palladium dichloride 以 甲醇 、 乙腈 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  Palladium(II) complexes of tridentate chalcogenated Schiff bases and related ligands of (S, N, S/Se/Te) type: Synthesis and structural chemistry

  摘要：

  The reactions in CH3CN between PdCl2 and Schiff base ligands, 2-MeSC6H4-CH=NCH2CH2E-C6H4-4-R (L1-L3) (E = S or Se, R = H; E = Te, R = OCH3) and their reduced derivatives 2-MeSC6H4CH2-NHCH2CH2E-C6H4-4-R (L4-L6) followed by treatment with AgPF6 or AgClO4 have resulted in complexes [PdCl(L)][ X] (1-6; L = L1-L6; X = PF6 or ClO4) which have been characterized by IR, H-1, C-13{H-1}, Se-77{H-1} and Te-125{H-1} NMR spectroscopy. Single crystal structures of complexes 1-6 reveal nearly square planar geometry around palladium in all of them (Pd-Se = 2.4045(16)-2.4065(6) angstrom; Pd-Te = 2.5052(9)-2.5307(13) angstrom). The various non-covalent interactions in the crystals result in the formation of chains, rings and caging of anions between cations. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.01.007
• 作为产物：
  描述：

  1-(2-methylsulfanylphenyl)-N-(2-phenylsulfanylethyl)methanimine 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 以88%的产率得到N-[(2-methylsulfanylphenyl)methyl]-2-phenylsulfanylethanamine
  参考文献：
  名称：

  苯和三齿（S，N，E）型配体（E = S，Se，Te）设计的酮的转移加氢和钌与半夹心钌配合物的催化氧化（II）

  摘要：

  组合物的复合物FAC - [（η 6 -C 6 H ^ 6）的Ru（大号）] [PF 6 ] [X]（1 - 6 ; X = PF 6或Cl），通过反应形成2- MESC 6 ħ 4 = NCH 2 CH 2 E-C 6 H ^ 4 -4-R（L1 - L3）和2- MESC 6 ħ 4 CH 2 -NHCH 2 CH 2 E-C 6 H ^ 4 -4-R（L4 - L6）（其中，E = S或Se，R = H; E =碲，R = OME）与[{（η 6 -C 6 H ^ 6）的RuCl（μ-Cl）的} 2 ]和NH 4 PF 6，已经其特征在于1 H，13 C { 1 H}，77 Se { 1 H}和125 Te { 1 H} NMR光谱法和X射线晶体学。Ru-Se和Ru-Te键长分别在2.4837（14）-2.4848（14）和2.6234（6）-2.6333（7）Å范围内。配合物1 -

  DOI：

  10.1021/om100807b

文献信息

• Transfer Hydrogenation of Ketones and Catalytic Oxidation of Alcohols with Half-Sandwich Complexes of Ruthenium(II) Designed Using Benzene and Tridentate (S, N, E) Type Ligands (E = S, Se, Te)
  作者：Pradhumn Singh、Ajai K. Singh

  DOI：10.1021/om100807b

  日期：2010.12.13

  and 2.6234(6)−2.6333(7) Å, respectively. Complexes 1−6 have been found to be efficient catalysts for catalytic oxidation of alcohols with N-methylmorpholine-N-oxide, tBuOOH, NaOCl, and NaIO4 and transfer hydrogenation reaction of ketones with 2-propanol. The TON values are up to 9.9 × 104 and 9.8 × 104 for two catalytic processes, respectively. The oxidation probably involves the formation of intermediate

  组合物的复合物FAC - [（η 6 -C 6 H ^ 6）的Ru（大号）] [PF 6 ] [X]（1 - 6 ; X = PF 6或Cl），通过反应形成2- MESC 6 ħ 4 = NCH 2 CH 2 E-C 6 H ^ 4 -4-R（L1 - L3）和2- MESC 6 ħ 4 CH 2 -NHCH 2 CH 2 E-C 6 H ^ 4 -4-R（L4 - L6）（其中，E = S或Se，R = H; E =碲，R = OME）与[（η 6 -C 6 H ^ 6）的RuCl（μ-Cl）的} 2 ]和NH 4 PF 6，已经其特征在于1 H，13 C 1 H}，77 Se 1 H}和125 Te 1 H} NMR光谱法和X射线晶体学。Ru-Se和Ru-Te键长分别在2.4837（14）-2.4848（14）和2.6234（6）-2.6333（7）Å范围内。配合物1 -
• Palladium(II) complexes of tridentate chalcogenated Schiff bases and related ligands of (S, N, S/Se/Te) type: Synthesis and structural chemistry
  作者：Pradhumn Singh、Ajai K. Singh

  DOI：10.1016/j.ica.2012.01.007

  日期：2012.5

  The reactions in CH3CN between PdCl2 and Schiff base ligands, 2-MeSC6H4-CH=NCH2CH2E-C6H4-4-R (L1-L3) (E = S or Se, R = H; E = Te, R = OCH3) and their reduced derivatives 2-MeSC6H4CH2-NHCH2CH2E-C6H4-4-R (L4-L6) followed by treatment with AgPF6 or AgClO4 have resulted in complexes [PdCl(L)][ X] (1-6; L = L1-L6; X = PF6 or ClO4) which have been characterized by IR, H-1, C-13H-1}, Se-77H-1} and Te-125H-1} NMR spectroscopy. Single crystal structures of complexes 1-6 reveal nearly square planar geometry around palladium in all of them (Pd-Se = 2.4045(16)-2.4065(6) angstrom; Pd-Te = 2.5052(9)-2.5307(13) angstrom). The various non-covalent interactions in the crystals result in the formation of chains, rings and caging of anions between cations. (C) 2012 Elsevier B.V. All rights reserved.