金刚烷-1-乙酸钠盐 | 105094-54-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 金刚烷-1-乙酸钠盐
• 英文名称: adamantane-1-acetic acid sodium salt
• 英文别名: sodium adamantane-1-acetate；sodium 2-(adamantan-1-yl)acetate；sodium adamantane acetate；sodium 1-adamantane acetate；1-Adamantaneacetic acid sodium salt；sodium;2-(1-adamantyl)acetate
• CAS: 105094-54-0
• 化学式: C₁₂H₁₇O₂*Na
• 分子量: 216.256
• InChiKey: BUVSCBQDQMOMGN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.65
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  金刚烷-1-乙酸钠盐 在 镍 sodium hydroxide 、 氢溴酸 、 氢气 作用下， 以 甲醇 为溶剂， 生成 三环[4.3.1.13.8]十一烷
  参考文献：
  名称：

  Stepanov,F.N.; Guts,S.S., Journal of Organic Chemistry USSR (English Translation), 1968, vol. 4, p. 1868 - 1871

  摘要：

  DOI：

文献信息

• Synthesis, structural and in vitro biological evaluation of diamondoid-decorated lipophilic organotin(IV) derivatives
  作者：Tushar S. Basu Baul、Rajesh Manne、Andrew Duthie、Li Yuan Liew、Jactty Chew、See Mun Lee、Edward R.T. Tiekink

  DOI：10.1016/j.jorganchem.2021.121802

  日期：2021.6

  sodium salts. Compounds 1–9 were characterised by spectroscopic techniques, including 119Sn NMR in non-coordinating solvent for assessment of the solution-state structures. The molecular and crystal structures of 2–8 were established by X-ray crystallography. The packing is largely dictated by hydrophobic interactions with the exception in the crystals of 6, where Sn…O secondary bonding is apparent,

  一系列组成Me 3 Sn（L 1）（1），Ph 3 Sn（L 1）（2），[M e 2 Sn（L 1）] 2 O} 2的饰以类金刚石的有机锡（IV）衍生物（3），[BzSn（O）（L 1）] 6（4），Me 3 Sn（L 2）OH 2（5），[Ph 3 Sn（L 2）] n（6），Bu 2 Sn（ L 2）2（7），通过使适当的有机锡（IV）前体与任何一种酸形式的脯氨酸反应，制得Bz 2 Sn（L 2）2 OH 2（8）和[BzSn（O）（L 2）] 6（9）。配体金刚烷-1-羧酸（HL 1）和2-（金刚烷-1-基）乙酸（HL 2）或它们的钠盐。化合物1 – 9通过光谱技术进行了表征，包括在非配位溶剂中的119 Sn NMR，用于评估溶液状态结构。的分子和晶体结构通过X射线晶体学确定2 – 8。堆积在很大程度上由疏水相互作用决定，除了晶体6中有Sn … O二级键很明显，在晶体5和8中每个都有O
• Facile synthesis of 1,9-diacyldipyrromethanes
  申请人：Lindsey S. Jonathan

  公开号：US20050054858A1

  公开（公告）日：2005-03-10

  The present invention provides a method of making a metal complex. The method comprises the steps of: (a) acylating a dipyrromethane or a 1-monoacyldipyrromethane to form a mixed reaction product comprising a 1,9-diacyidipyrromethane; (b) combining the reaction product with a compound of the formula R 2 MX 2 in the presence of a base, where R is alkyl or aryl, M is Sn, Si, Ge, or Pb (preferably Sn), and X is halo, OAc, acac, or OTf, to form a product comprising a metal complex of the formula DMR 2 in the mixed reaction product, wherein D is a 1,9-diacyldipyrromethane; and then (c) separating the metal complex from the mixed reaction product. The method may be utilized for the convenient synthesis and separation of 1,9-diacyldipyrromethanes. Metal complex intermediates useful in such methods are also described.

  本发明提供了一种制备金属配合物的方法。该方法包括以下步骤：(a) 酰化二吡咯甲烷或1-单酰基二吡咯甲烷，形成包含1,9-二酰基二吡咯甲烷的混合反应产物；(b) 在碱的存在下，将反应产物与化合物R2MX2（其中R为烷基或芳基，M为Sn、Si、Ge或Pb（优选Sn），X为卤、OAc、acac或OTf）结合，形成包含公式DMR2的金属配合物的产物，在混合反应产物中，其中D为1,9-二酰基二吡咯甲烷；然后(c) 将金属配合物与混合反应产物分离。该方法可用于方便合成和分离1,9-二酰基二吡咯甲烷。还描述了在这些方法中有用的金属配合物中间体。
• Toward a Magnetostructural Correlation for a Family of Mn₆ SMMs
  作者：Constantinos J. Milios、Ross Inglis、Alina Vinslava、Rashmi Bagai、Wolfgang Wernsdorfer、Simon Parsons、Spyros P. Perlepes、George Christou、Euan K. Brechin

  DOI：10.1021/ja0736616

  日期：2007.10.1

  We have structurally and magnetically characterized a total of 12 complexes based on the SingleMolecule Magnet (SMM) [MnIII6O2(sao)(6)(O2CH)(2)(MeOH)(4)] (1) (where sao(2-) is the dianion of salicylaldoxime or 2-hydroxybenzaldeyhyde oxime) that display analogous structural cores but remarkably different magnetic behaviors. Via the use of derivatized oxime ligands and bulky carboxylates we show that it is possible to deliberately increase the value of the spin ground state of the complexes [Mn6O2(Me-sao)(6)(O2CCPh3)(2)(EtOH)(4)](2), [Mn6O2(Et-sao)(6)(O2CCMe3)(2)(EtOH)(5)] (3), [Mn6O2(Et-sao)(6)(O2CPh 2OPh)(2)(EtOH)(4)](4), [Mn6O2(Etsao)(6)(O2CPh (OPh)-O-4)(2)(EtOH)(4)(H2O)(2)](5), [Mn6O2(Me-sao)(6)(O2CPhBr)(2)(EtOH),I (6), [Mn6O2(Et-saO)(6)(O2CPh)(2()EtOH)(4)(H2O)(2)] (7), [Mn6O2(Et-sao)(6)tO(2)CPh(Me)(2)](2)(EtOH)(6)] (8), [Mn6O2(Et-sao)(6)(O2C11H15)(2)(EtOH)(6)] (9), [Mn6O2(Me-saO)(6)(O2C-th)(2)(EtOH)(4)(H2O)2] (10), [Mn6O2(Et-sao)(6)(O2CPhMe)(2)(EtOH)(4)(H2O)(2)] (11), and [Mn6O2(Et-sao)(6)(O2C12H17)(2)(EtOH)(4)(H2O)2] (12) (Et-saoH(2) = 2-hydroxybropiophenone oxime, Me-saoH(2) = 2-hydroxyethanone oxime, HO2CCPh3 = triphenylacetic acid, HO2CCMe3 = pivalic acid, HO2CPh 2OPh = 2-phenoxybenzoic acid, HO2CPh (OPh)-O-4 = 4-phenoxybenzoic acid, HO2CPhBr = 4-bromobenzoic acid, HO2CPh(Me)(2) = 3,5-dimethylbenzoic acid, HO2C11-H-15 = adamantane carboxylic acid, HO2C-th = 3-thiophene carboxylic acid, HO2CPhMe = 4-methylbenzoic acid, and HO2C12H17 = adamantane acetic acid) in a stepwise fashion from S = 4 to S = 12 and, in-so-doing, enhance the energy barrier for magnetization reorientation to record levels. The change from antiferromagnetic to ferromagnetic exchange stems from the "twisting" or "puckering" of the (-Mn-N-O-)(3) ring, as evidenced by the changes in the Mn-N-O-Mn torsion angles.
• Synthesis of the G−C DNA Base Hybrid with a Functional Tail
  作者：Mark Mascal、Steven C. Farmer、James R. Arnall-Culliford

  DOI：10.1021/jo061304s

  日期：2006.10.1

  Molecules which possess the hydrogen bonding codes of both guanine and cytosine ("G-C DNA base hybrids") are known to organize in a hexagonal array both in solution and the solid state. Including an easily derivatizable functional group in the molecule allows the co-organization of virtually any species in the hexagonal periphery. Simple 5- and 6-step procedures are described for the synthesis of DNA base hybrids with tail groups which are terminated by electrophilic (primary bromide) and nucleophilic (primary alcohol) functions, respectively.
• The intercalation of bicyclic and tricyclic carboxylates into layered double hydroxides
  作者：Aamir I. Khan、Gareth R. Williams、Gang Hu、Nicholas H. Rees、Dermot O'Hare

  DOI：10.1016/j.jssc.2010.09.036

  日期：2010.12

  Twenty-four nanocomposites built from layered double hydroxides and bicyclic and tricyclic carboxylates have been synthesised for the first time. Eight carboxylates were successfully intercalated into [LiAl(2)(OH)(6)]Cl center dot yH(2)O, [Ca(2)Al(OH)(6)]NO(3)center dot yH(2)O, and [Mg(2)Al(OH)(6)]NO(3)center dot yH(2)O, and the products fully characterised. Guest species incorporated include 1-adamantane carboxylate (1-AC) and 5-norbornene-2-endo-3-exo-dicarboxylate. In some cases, carbonate anions were co-intercalated with the organic guest, and in others poorly crystalline aluminium hydroxides formed as by-products. Sharper resonances were observed in the (13)C solid-state NMR spectra of the 1-AC intercalates than in the spectrum of pure 1-AC, suggesting increased order in the arrangement of the cyclic cages in the intercalates. Where possible, time-resolved in situ X-ray diffraction was employed to study the nanoscopic steps involved in the intercalation reactions. These investigations showed that the reactions are one-step processes, proceeding directly to the fully exchanged intercalate with no intermediate phases. The intercalation processes were found to be nucleation controlled. (C) 2010 Elsevier Inc. All rights reserved.