苄基双(羟甲基)膦 | 52337-68-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苄基双(羟甲基)膦
• 英文名称: bis(hydroxymethyl)benzylphosphine
• 英文别名: [benzyl(hydroxymethyl)phosphanyl]methanol
• CAS: 52337-68-5
• 化学式: C₉H₁₃O₂P
• 分子量: 184.175
• InChiKey: JBRDAZOIRDHFOX-UHFFFAOYSA-N

物化性质

• 沸点：
  84-85 °C(Press: 1 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

上下游信息

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  三苄基膦	tribenzylphosphine	7650-89-7	C21H21P	304.371

反应信息

• 作为反应物：
  描述：

  苄基双(羟甲基)膦 在 三乙胺 作用下， 生成 tribenzylphosphine oxide
  参考文献：
  名称：

  Petrov,K.A. et al., Journal of general chemistry of the USSR, 1962, vol. 32, # 2, p. 542 - 545

  摘要：

  DOI：
• 作为产物：
  描述：

  benzylbis(hydroxymethyl)phosphine sulfide 在 lithium aluminium tetrahydride 作用下， 以 1,4-二氧六环 为溶剂， 生成 苄基双(羟甲基)膦
  参考文献：
  名称：

  Investigations into the Oxidative Stability of Hydroxymethyl- and Bis(Hydroxymethyl)-Phosphines

  摘要：

  Polydentate ligands containing the bis(hydroxymethyl)phosphine unit have been reported to exhibit enhanced oxidative stability, which would make them attractive for use in Tc-99m-radiopharmaceutical imaging agents. Benzylethyl(hydroxymethyl)phosphine, benzylbis(hydroxymethyl)phosphine and benzyldiethylphosphine were prepared in order to investigate the origin of this oxidative stability. Little evidence was found to indicate that the hydroxymethylphosphines show an enhanced level of stability, but it was demonstrated that the reaction conditions employed in their preparation generated a number of closely related by-products, which are likely to limit the usefulness of the hydroxymethylphosphines in commercial radiopharmaceutical applications.

  DOI：

  10.1080/10426500701761417

文献信息

• Coordination and conformational isomers in mononuclear iron complexes with pertinence to the [FeFe] hydrogenase active site
  作者：Andreas Orthaber、Michael Karnahl、Stefanie Tschierlei、Daniel Streich、Matthias Stein、Sascha Ott

  DOI：10.1039/c3dt53268b

  日期：——

  6 Fe complexes of the type [Fe(X-bdt)(P^R₂N^Ph₂)(CO)] were prepared and the possibility to tune their electronic properties by ligand modification was demonstrated. IR spectroscopic and computational studies suggest that the compounds exist as a mixture of isomers in solution.

  制备了类型为[Fe(X-bdt)(P^R_2N^Ph_2)(CO)]的6种Fe配合物，并展示了通过配体修饰调节它们的电子性质的可能性。红外光谱和计算研究表明，这些化合物在溶液中存在多种异构体的混合物。
• Self-assembly of novel macrocyclic aminomethylphosphines with hydrophobic intramolecular cavities
  作者：Anna S. Balueva、Roman M. Kuznetsov、Svetlana N. Ignat'eva、Andrey A. Karasik、Aidar T. Gubaidullin、Igor A. Litvinov、Oleg G. Sinyashin、Peter Lönnecke、Evamarie Hey-Hawkins

  DOI：10.1039/b311592e

  日期：——

  bis(hydroxymethyl)organylphosphines with primary aromatic diamines containing two p-phenylene fragments linked by various one-atom bridges in a molecular self-assembly process. The structures of 4, 5 and 6 were investigated by X-ray crystal structure analyses. The macrocyclic cavities can be described as a truncated rhombohedral prism with side faces formed by phenylene rings and 1,5-diaza-3,7-diphosphacyclooctanes

  无需使用高稀释技术或通过在分子自组装过程中使双（羟甲基）有机基膦与伯芳族二胺反应而形成的任何基质，所述伯芳族二胺包含通过各种单原子桥连接的两个对亚苯基片段。通过X射线晶体结构分析研究了4、5和6的结构。大环腔可被描述为具有由亚苯基环和1，5-二氮杂-3，7-二磷环辛烷在截短的锐角中形成的侧面的截短的菱形棱柱形棱柱体。在这些大环的晶体中，存在溶剂化的DMF分子，并且两个DMF分子中的每一个的甲基都从任一侧穿透4和5的大环腔，而只有一个无序的DMF分子穿透大环6的空腔。对于P-苄基取代的化合物4和5和P-间苯二甲酰基取代的化合物6观察到了不同类型的晶体堆积：对于4和5，形成了观察到包含大环和DMF分子的交替层，其中大环分子的空腔形成通道，而DMF分子位于通道的中心。在6的晶体中，六个分子以六叶螺旋桨的方式绕3轴排列。对于4和5，观察到包含大环和DMF分子的交替层的形成，其中大环分子的空腔形成通
• Synthesis and Structure of Iron (II) Complexes of Functionalized 1,5-Diaza-3,7-Diphosphacyclooctanes
  作者：Yulia S. Spiridonova、Yulia A. Nikolaeva、Anna S. Balueva、Elvira I. Musina、Igor A. Litvinov、Igor D. Strelnik、Vera V. Khrizanforova、Yulia G. Budnikova、Andrey A. Karasik

  DOI：10.3390/molecules25173775

  日期：——

  In order to synthesize new iron (II) complexes of 1,5-diaza-3,7-diphosphacyclooctanes with a wider variety of the substituents on ligands heteroatoms (including functionalized ones, namely, pyridyl groups) and co-ligands, it was found that these ligands with relatively small phenyl, benzyl, and pyridin-2-yl substituents on phosphorus atoms in acetonitrile formed bis-P,P-chelate cis-complexes [L2Fe(CH3CN)2]2+

  为了合成新的 1,5-二氮杂-3,7-二磷杂环辛烷的铁 (II) 配合物，在配体杂原子（包括功能化的杂原子，即吡啶基）和共配体上具有更广泛的取代基，发现这些在乙腈中磷原子上具有相对较小苯基、苄基和吡啶-2-基取代基的配体形成双-P,P-螯合顺式络合物[L2Fe(CH3CN)2]2+ (BF4)2-，而P -mesityl 取代的配体仅形成单配体 P,P-复合物 [LFe(CH3CN)4]2+ (BF4)2-。3,7-二苄基-1,5-二(1'-(R)-苯乙基)-1,5-二氮杂-3,7-二磷酸环辛烷与四氟硼酸铁 (II) 六水合物在丙酮中反应，得到一种不寻常的双- [L2Fe(BF4)]+BF4-的配体阳离子络合物，根据 X 射线衍射数据，四氟硼酸盐单元的两个氟原子在大致八面体的铁离子处占据两个伪赤道位置。1,5-二氮杂-3,7-二磷杂环辛烷取代四氢呋喃和环戊二烯基二羰基（四氢呋喃）铁（II）
• Transition metal complexes and polymerization catalysts
  申请人：Otomaru Yuka

  公开号：US20060229195A1

  公开（公告）日：2006-10-12

  There are provided a transition metal complex of formula (1): wherein M represents an element of Group 6 of Periodic Table of Elements, A and A′ are the same or different, and represent a substituted or unsubstituted C1-10 alkylene group or the like, Y represents a substituted or unsubstituted C1-10 alkyl group, or the like, X 1 and X 2 are the same or different, and represent a hydrogen atom, a halogen atom, a substituted or unsubstituted C1-10 alkyl group, or an amino group disubstituted with C1-20 hydrocarbon, and n 1 is an integer of 0 to 3, an olefin polymerization catalyst obtained by combining a transition metal complex with an organic aluminum or aluminoxane, a polymerization catalyst further containing a boron compound, and a process for producing olefin polymer using the polymerization catalyst.

  提供了一种公式为（1）的过渡金属配合物：其中M代表元素周期表的第6组元素，A和A'相同或不同，代表取代或未取代的C1-10烷基或类似物，Y代表取代或未取代的C1-10烷基或类似物，X1和X2相同或不同，代表氢原子、卤素原子、取代或未取代的C1-10烷基或二取代C1-20碳氢化合物的氨基，n1为0至3的整数，通过将过渡金属配合物与有机铝或铝烷氧化物结合获得的烯烃聚合催化剂，进一步含有硼化合物的聚合催化剂，以及使用该聚合催化剂生产烯烃聚合物的方法。
• TRANSITION METAL COMPLEXES AND POLYMERIZATION CATALYSTS
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1557423A1

  公开（公告）日：2005-07-27

  There are provided a transition metal complex of formula (1): wherein M represents an element of Group 6 of Periodic Table of Elements, A and A' are the same or different, and represent a substituted or unsubstituted C1-10 alkylene group or the like, Y represents a substituted or unsubstituted C1-10 alkyl group, or the like, X1 and X2 are the same or different, and represent a hydrogen atom, a halogen atom, a substituted or unsubstituted C1-10 alkyl group, or an amino group disubstituted with C1-20 hydrocarbon, and n1 is an integer of 0 to 3, an olefin polymerization catalyst obtained by combining a transition metal complex with an organic aluminum or aluminoxane, a polymerization catalyst further containing a boron compound, and a process for producing olefin polymer using the polymerization catalyst.

  提供了一种式（1）的过渡金属配合物： 其中 M 代表元素周期表第 6 族元素，A 和 A'相同或不同，代表取代或未取代的 C1-10 烷基或类似基团，Y 代表取代或未取代的 C1-10 烷基或类似基团，X1 和 X2 相同或不同，代表氢原子、卤素原子、取代或未取代的 C1-10 烷基、或与 C1-20 碳氢化合物二取代的氨基，且 n1 为 0 至 3 的整数，通过将过渡金属络合物与有机铝或铝氧烷结合而获得的烯烃聚合催化剂，进一步含有硼化合物的聚合催化剂，以及使用该聚合催化剂生产烯烃聚合物的工艺。