1,5-戊烷双磷酸 | 4672-25-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 中文名称: 1,5-戊烷双磷酸
• 中文别名: 1,5-戊烷二膦酸
• 英文名称: pentane-1,5-bisphosphonic acid
• 英文别名: 1,5-pentylenediphosphonic acid；Pentan-diphosphonsaeure-(1,5)；1,5-Diphosphono-pentan；Pentamethylen-diphosphonsaeure；5-phosphonopentylphosphonic Acid
• CAS: 4672-25-7
• 化学式: C₅H₁₄O₆P₂
• mdl: MFCD00800268
• 分子量: 232.11
• InChiKey: QRKINCQKOGXVEO-UHFFFAOYSA-N

物化性质

• 熔点：
  154.0 to 158.0 °C
• 沸点：
  536.7±60.0 °C(Predicted)
• 密度：
  1.553±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.4
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  115
• 氢给体数：
  4
• 氢受体数：
  6

安全信息

• 危险等级：
  8
• 危险品运输编号：
  UN 3261
• 储存条件：
  存放于惰性气体中，并避免接触湿气（吸湿）。

反应信息

• 作为反应物：
  描述：

  1,5-戊烷双磷酸 、 zinc(II) acetate dihydrate 在 溶剂黄146 作用下， 以 水 为溶剂， 反应 96.0h， 生成
  参考文献：
  名称：

  Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families

  摘要：

  Through the systematic investigation of zinc alkylbisphosphonates, four new structural families have been obtained. These families are named zinc alkyl-tunnel, -gate, -cation, and -sheet (ZAT, ZAG, ZAC, and ZAS) for convenience and have been synthesized and further extended through isoreticular design utilizing alkylbis(phosphonic acid) ligands of the formula H2O3PCnH2nPO3H2 (n = 3-6) (H(4)Ln). Both even- and odd-length chains were utilized to help determine the effect of chain conformation on structure formation. The investigation lead to two known compounds (ZAG-4, and ZAS-3) and nine new compounds, two of which contain large 1-D channels. The crystal structures of all compounds were determined by single-crystal X-ray diffraction. Of the nine new compounds, only seven of them fall into the new families. In three of the four families, the structure is controlled by alkyl-chain length and conformation (i.e., odd vs even), and in the fourth, a conformational distortion allows both odd and even lengths to form the given structure. Isoreticular species using n = 3 and 5 were obtained in both the ZAT and the ZAS families; using n = 4 and 6 were obtained in the ZAG family; and n = 4-6, in the ZAC family.

  DOI：

  10.1021/cg500568e
• 作为产物：
  描述：

  四乙基1,5-戊烷二基二(膦酸酯) 在 盐酸 作用下， 生成 1,5-戊烷双磷酸
  参考文献：
  名称：

  一些脂族二膦四氯化物

  摘要：

  制备并表征了一般类型为Cl 2 PO（CH 2）x POCl 2的二膦四氯化物，完成了x = 1-10的系列。首次注意到这些物质的熔点周期性，这种现象类似于在一系列不含磷的有机化合物中观察到的现象。

  DOI：

  10.1039/j39660000757

文献信息

• Evolution of the Structural Chemistry of Vanadium Organodiphosphonate Networks and Frameworks:  Structural Consequences of Fluoride Incorporation in the Development of Stable Phases with Void Channels
  作者：Wayne Ouellette、Ming Hui Yu、Charles J. O'Connor、Jon Zubieta

  DOI：10.1021/ic0604462

  日期：2006.9.1

  distinct for the five structures of this study. [H2pip][V4F4O2(H2O)2O3P(CH2)3PO3}2] (1) (pip = piperazine) is a conventional three-dimensional (3D) "pillared" layer structure, whose V/P/O/F networks are buttressed by the propylene chains of the diphosphonate ligands. In contrast, [H2en][V2O2F2(H2O)2O3P(CH2)4PO3}] (2) and [H2en]2[V6F12(H2O)2O3P(CH2)5PO3}2 HO3P(CH2)5PO3H}] (3) are two-dimensional

  含有钒酸盐源，有机二膦酸盐，有机氮组分和HF（V / P / O / F）的溶液的水热反应产生一系列由有机铵阳离子或水合氢阳离子提供电荷补偿的氧氟钒二膦酸盐。尽管V / P / O / F网络提供了重复的结构图案，但对于本研究的五种结构，各层之间的联系以及各层内多面体连接性的细节却截然不同。[H2pip] [V4F4O2（H2O）2 O3P（CH2）3PO3} 2]（1）（pip =哌嗪）是一种常规的三维（3D）“柱状”层结构，其V / P / O / F网络由二膦酸酯配体的丙烯链支撑。相比之下，[H2en] [V2O2F2（ ）2 （ ）4PO3}]（2）和[H2en] 2 [V6F12（ ）2 （ ）5PO3} 2 H （ ）5PO3H}]（3）是由成对的V / P / O / F网络构成的二维（2D）平板状结构，将二膦酸酯配体的支柱有机系链
• Solid-State Coordination Chemistry of the Oxomolybdate−Organodiphosphonate/Nickel−Organoimine System:  Structural Influences of the Secondary Metal Coordination Cation and Diphosphonate Tether Lengths
  作者：Eric Burkholder、Vladimir Golub、Charles J. O'Connor、Jon Zubieta

  DOI：10.1021/ic049201k

  日期：2004.11.1

  one-dimensional materials [[Ni(2)(tpyprz)(2)]Mo(5)O(15)[O(3)P(CH(2))(4)PO(3)]]x6.65H(2)O (6x6.65H(2)O) and [[Ni(2)(tpyprz)(2)]Mo(5)O(15)[O(3)P(CH(2))(5)PO(3)]]x3.75H(2)O (8x3.75H(2)O), the two-dimensional phases [[Ni(4)(tpyprz)(3)][Mo(5)O(15)(O(3)PCH(2)CH(2)PO(3))](2)]x23H(2)O (3x23H(2)O) and [[Ni(3)(tpyprz)(2)(H(2)O)(2)](Mo(5)O(15))(Mo(2)O(4)F(2))[O(3)P(CH(2))(3)PO(3)](2) ]x8H(2)O (5x8H(2)O), and the three-dimensional

  钼酸盐源，镍（II）盐，四-2-吡啶基吡嗪（tpyprz）和有机二膦酸H（2）O（3）P（CH（2））（n）（）PO（3）的水热反应不同系链长度的）H（2）（n = 1-5）产生了一系列钼磷膦酸镍家族的有机-无机杂化材料。结构化学的一个持久性特征是[Mo（5）O（15）（O（3）PR）（2）]（4）（-）簇作为分子构件的存在，正如一个维材料[[Ni（2）（tpyprz）（2）] Mo（5）O（15）[O（3）P（CH（2））（4）PO（3）]] x6.65H（2 ）O（6x6.65H（2）O）和[[Ni（2）（tpyprz）（2）] Mo（5）O（15）[O（3）P（CH（2））（5）PO（ 3）]] x3.75H（2）O（8x3.75H（2）O），二维相[[Ni（4）（tpyprz）（3）] [Mo（5）O（15）（O （3）PCH（2）CH（2）PO（3））]（2）] x23H（2）O
• Solid state coordination chemistry of metal oxides: structural consequences of fluoride incorporation into the oxovanadium–copper–bisterpy–{O₃P(CH₂)_nPO₃}⁴⁻system, n = 1–5 (bisterpy = 2,2′:4′,4″:2″,2‴-quaterpyridyl-6′,6″-di-2-pyridine)
  作者：Wayne Ouellette、Vladimir Golub、Charles J. O'Connor、Jon Zubieta

  DOI：10.1039/b412808g

  日期：——

  [Cu2(bisterpy)}3V4O8(OH)2O3P(CH2)3PO3}2HO3P(CH2)3PO3}2] x 5H2O (7 x 5H2O) cocrystallized from the reaction mixture which provided 5. The overall architectures reveal embedded substructures based on V/P/O(F) clusters, chains, networks, and frameworks. In contrast to the oxovanadium/Cu2(bisterpy)/ organodiphosphonate family, several of the materials of this study also exhibit the direct condensation of vanadium

  在HF存在下，钒酸盐源，适当的Cu（II）源，二铵和有机二膦酸盐H2O3P（CH2）nPO3H2（n = 1-5）的水热反应产生了一系列氧氟钒/铜类型的材料-双酯/有机二膦酸酯。在相似的反应条件下，二膦酸盐系链长度n的变化提供了一维[Cu2（bisterpy）} V2F2O2 HO3PCH2PO3} O3PCH2PO3}]（1）和[Cu2（bisterpy）} V2F4O4 P（ ）2PO3H} ]（3），二维[Cu2（bisterpy）} V2F2O2（H2O）2 P（ ）2PO3} 2] x 2 （2 x 2 ），[Cu2（bisterpy）（ 2} V2F2O2 O3P （ ）3PO3} P（ ）3PO3H}（4）和[Cu2（bisterpy）} V4F4O4（OH）（ ） P（ ）5PO3} （ ）5PO3}]
• Chain length effect in the functionalization of polyoxometalates with α,ω-alkyldiphosphonates
  作者：Zhiwei Liu、Wei Wang、Jinkui Tang、Weiqi Li、Weiye Yin、Xikui Fang

  DOI：10.1039/c9cc02854d

  日期：——

  group (e.g.L6vs.L5), can steer the self-assembly processes into different paths. Even homologous hybrids of L5 and L4 have seen the spin ground states switch from S = 0 to S = 9 upon shortening the chain length (L5vs.L4).

  改变在polyoxotungstates和长链α，ω-alkyldiphosphonates（的杂交复合物的有机隔离物大号Ñ由单个CH），2组（例如， L6与L5），可以引导自组装处理成不同的路径。即使是L5和L4的同源杂种，在缩短链长（L5对L4）时，自旋基态也从S = 0切换到S = 9 。
• Solid state coordination chemistry: structural consequences of variations in tether length in the oxovanadium–copper–bisterpy–{O₃P(CH₂)_nPO₃}⁴⁻system, n = 1–6 (bisterpy = 2,2′:4′,4″:2″,2‴-quarterpyridyl-6′,6″-di-2-pyridine)
  作者：Wayne Ouellette、Bon-Kweon Koo、Eric Burkholder、Vladimir Golub、C. J. O'Connor、Jon Zubieta

  DOI：10.1039/b401669f

  日期：——

  Hydrothermal reactions of Na3VO4, an appropriate Cu(II) source, bisterpy and an organodiphosphonate, H2O3P(CH2)nPO3H2 (n = 1–6) yielded a family of materials of the type Cu2(bisterpy)}4+/VxOyn−/O3P(CH2)nPO3}4−. This family of bimetallic oxides is characterized by an unusual structural diversity. The oxides [Cu2(bisterpy)}V2O4O3PCH2PO3H}2] (1), [Cu2(bisterpy)(H2O)}VO2O3P(CH2)3PO3}HO3P(CH2)3PO3H2}] (4) and [Cu2(bisterpy)}V2O4O3P(CH2)6PO3H}2]·2H2O (7·2H2O) are one-dimensional, while [Cu2(bisterpy)(H2O)2}V2O4O3P(CH2)2PO3}HO3P(CH2)2PO3H}2] (2), [Cu2(bisterpy)}V4O8O3P(CH2)3PO3}2]·4H2O (3·4H2O) and [Cu2(bisterpy)}V2O4(OH)2O3P(CH2)4PO3}]·4H2O (5·4H2O) are two-dimensional. The V(IV) oxide [Cu2(bisterpy)}V4O4O3P(CH2)5PO3H}4]·7.3H2O (6·7.3H2O) provides a relatively unusual example of a three-dimensional bimetallic oxide phosphonate. The structures reveal a variety of V/P/O substructures as building blocks.

  Na3VO4、适当的Cu(II)源、bisterpy和一种有机二膦酸盐H2O3P(CH2)nPO3H2（n = 1-6）在水热反应中产生了一系列材料，类型为Cu2(bisterpy)}4+/VxOyn−/O3P( )nPO3}4−。这类双金属氧化物具有不寻常的结构多样性。氧化物[Cu2(bisterpy)}V2O4O3PCH2PO3H}2] (1)、[Cu2(bisterpy)(H2O)}VO2 ( )3PO3}H ( )3PO3H2}] (4)和[Cu2(bisterpy)}V2O4 ( )6PO3}2]·2 (7·2 )是三维的，而[Cu2(bisterpy)( )2}V2O4 ( )2PO3}H ( )2PO3H}2] (2)、[Cu2(bisterpy)}V4O8 ( )3PO3}2]·4 (3·4 )和[Cu2(bisterpy)}V2O4(OH)2 ( )4PO3}]·4 (5·4 )是二维的。V(IV)氧化物[Cu2(bisterpy)}V4O4 ( )5PO3H}4]·7.3 (6·7.3 )提供了一个相对不寻常的三维双金属氧化物膦酸盐的例子。结构显示出多样的V/P/O亚结构作为构建模块。