二(溴甲基)硫化 | 16958-73-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 二(溴甲基)硫化
• 英文名称: bis(bromomethyl)sulfide
• 英文别名: Bis-brommethyl-sulfid；Bis(bromomethyl) sulfide；bromo(bromomethylsulfanyl)methane
• CAS: 16958-73-9
• 化学式: C₂H₄Br₂S
• 分子量: 219.928
• InChiKey: QWMKLFPSXWESSN-UHFFFAOYSA-N

物化性质

• 沸点：
  81 °C(Press: 10 Torr)
• 密度：
  2.2064 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  5
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  二(溴甲基)硫化 生成 sulfanediyl-bis-methaneselenol
  参考文献：
  名称：

  Schmidt,M.; Hoffmann,G.G., Chemische Berichte, 1979, vol. 112, p. 2190 - 2196

  摘要：

  DOI：
• 作为产物：
  描述：

  bis-(1-bromo-ethyl)-sulfane 生成 二(溴甲基)硫化
  参考文献：
  名称：

  WEISSFLOG E.; SCHMIDT M., PHOSPH. AND SULFUR, 1978, 4, NO 3, 383-384

  摘要：

  DOI：

文献信息

• Synthesis and Characterization of Diiron Thiadithiolate Complexes Related to the Active Site of [FeFe]‐Hydrogenases
  作者：Li‐Cheng Song、Qing‐Shan Li、Zhi‐Yong Yang、Yu‐Juan Hua、Hong‐Zhu Bian、Qing‐Mei Hu

  DOI：10.1002/ejic.200901023

  日期：2010.3

  [2Fe3S]-cluster-containing disubstituted complexes [(Fe 2 (μ-SCH 2 ) 2 S-(CO) 5 } 2 (L 2 )] [5, L 2 = 4,4'-(Ph 2 P) 2 (C 6 H 4 ) 2 ; 6, L 2 = trans-Ph 2 P-CH=CHPPh 2 ; 7, L 2 = 1,4-(CN) 2 C 6 H 4 ; 8, L 2 = (η 5 -Ph 2 PC 5 H 4 ) 2 -Fe ; 9, L 2 = (η 5 -Ph 2 PC 5 H 4 ) 2 Ru] were produced by reaction of A with 0.5 equiv. of the corresponding bidentate ligands in the presence of Me 3 NO. In addition, the single [2Fe3S]-cluster-containing

  在已知配合物 [Fe 2 (μ-SCH 2 ) 2 S(CO) 6 ] (A) 的基础上，通过一种新方法，包括 [(μ-LiS) 2 Fe 2 (CO) 6 ] 与过量的 S(CH 2 Br) 2 、十二个新的硫二硫二铁二铁模拟物作为 [FeFe]-氢化酶活性位点的模拟物，已通过 CO 配体的取代和配合物 A 的中心 S 原子与适当试剂的配位而合成。用1当量处理A。单齿配体PPh 3 和[(η 5 -C 5 H 5 )(η 5 -Ph 2 PC 5 H 4 )-Fe] 在 Me 3 NO 和 1 equiv 的存在下。tBuNC 和环己基异氰化物得到单个含 [2Fe3S]-簇的单取代复合物 [Fe 2 (p-SCH 2 ) 2 S(CO) 5 -(L 1 )] (1, L 1 = PPh 3 ; 2, L 1 = (η 5 -C 5 H 5 )(η 5 -Ph 2 PC 5 H 4 )Fe;
• Comparison of S and Se dichalcogenolato [FeFe]-hydrogenase models with central S and Se atoms in the bridgehead chain
  作者：Mohammad K. Harb、Jochen Windhager、Tobias Niksch、Helmar Görls、Takahiro Sakamoto、Elliott R. Smith、Richard S. Glass、Dennis L. Lichtenberger、Dennis H. Evans、Mohammad El-khateeb、Wolfgang Weigand

  DOI：10.1016/j.tet.2012.10.021

  日期：2012.12

  these complexes, but in different ways. In the cations one Fe(CO)3 rotates to put one carbonyl ligand in a semibridging position, and the bridgehead chalcogen lone pair electrons donate to the vacant coordination site created on the iron to stabilize the positive charge. In the dianions one Fe(CO)3 rotates to put one carbonyl ligand in a fully bridging position, and one bridging chalcogen atom breaks

  为了研究并入配合物的结构硫和硒原子的影响该模型[FEFE] -hydrogenases，一系列二铁dithiolato的和形式的复合物diselenolato（μ-ECH的活性位点2 XCH 2 E-μ制备并表征了Fe 2（CO）6，其中二铁桥接原子E为S或Se，连接桥头X为CH 2，S或Se。已经通过气相光电子光谱法比较了电子能量，氧化和还原行为以及将质子从乙酸还原成H 2的能力。，已经通过循环伏安法进行了比较。密度泛函理论计算与这些分子的结构和电子能非常吻合，并为氧化和还原性质提供了更多的启示。计算表明，桥头X是S或Se的每个分子的HOMO都含有大量硫族元素“孤对”轨道特征。桥头硫属元素孤对的存在有利于这些络合物的阳离子和二价阴离子的Fe（CO）3 “旋转”结构，但是以不同的方式存在。在阳离子中一种Fe（CO）3旋转使一个羰基配体处于半桥位置，桥头硫属元素孤对电子捐赠给铁上产生的空位配
• Synthesis and Investigation of Chalcogen Atom Substituted Dinitriles and Porphyrazines
  作者：Anthony E. Pullen、Christophe Faulmann、Patrick Cassoux

  DOI：10.1002/(sici)1099-0682(19990202)1999:2<269::aid-ejic269>3.0.co;2-w

  日期：1999.2.2
• Reprint of Bis(phosphinomethyl)phenylamines and bis(phosphinomethyl)sulfides and their reaction with d8-platinum group precursors
  作者：Marc Stickel、Caecilia Maichle-Moessmer、Lars Wesemann、Hermann A. Mayer

  DOI：10.1016/j.poly.2013.02.001

  日期：2013.3

  The potentially tridentate phosphines R2PCH2XCH2PR2 [X = NPh, R = Ph (1), Bu-t (2), Cy (3), X = S, R = Ph (4), Bu-t (5)] were treated with different Pd(II), Pt(II) as well as Rh(I) and Ir(l) complex precursors. All new palladium and platinum compounds are formed as cis bisphosphine complexes. This is also the case if the sterically demanding phosphines 2 and 3 are treated with MCl(CO)(PPh3)(2) while the comparable reaction with 1 generates trigonal bipyramidal complexes. In contrast to this the reaction of 5 with Ir(CO)(2)Cl(p-TolNH(2)) forms the macrocycle 5b. All new compounds have been characterized by H-1, C-13, P-31 NMR and IR spectroscopy. Single crystal X-ray analysis has been performed from most of the compounds as well. (C) 2013 Published by Elsevier Ltd.
• Bis(phosphinomethyl)phenylamines and bis(phosphinomethyl)sulfides and their reaction with d8-platinum group precursors
  作者：Marc Stickel、Caecilia Maichle-Moessmer、Lars Wesemann、Hermann A. Mayer

  DOI：10.1016/j.poly.2012.07.083

  日期：2012.10

  The potentially tridentate phosphines R2PCH2XCH2PR2 [X = NPh, R = Ph (1), Bu-t (2), Cy (3), X = S, R = Ph (4), Bu-t (5)] were treated with different Pd(II), Pt(II) as well as Rh(I) and Ir(I) complex precursors. All new palladium and platinum compounds are formed as cis bisphosphine complexes. This is also the case if the sterically demanding phosphines 2 and 3 are treated with MCl(CO)(PPh3)(2) while the comparable reaction with 1 generates trigonal bipyramidal complexes. In contrast to this the reaction of 5 with Ir(CO)(2)Cl(p-TolNH(2)) forms the macrocycle 5b. All new compounds have been characterized by H-1, C-13, P-31 NMR and IR spectroscopy. Single crystal X-ray analysis has been performed from most of the compounds as well. (C) 2012 Elsevier Ltd. All rights reserved.