silver(I) 4-methylbenzoate | 72776-33-1

• 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: silver(I) 4-methylbenzoate
• 英文别名: 4-methyl-benzoic acid ; silver (I)-compound；4-Methyl-benzoesaeure; Silber(I)-Verbindung；Silver;4-methylbenzoate
• CAS: 72776-33-1
• 化学式: Ag*C₈H₇O₂
• 分子量: 243.011
• InChiKey: UCLXRBMHJWLGSO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.36
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 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：

  silver(I) 4-methylbenzoate 、 二苯基锑二氯化物 以 甲苯 为溶剂， 以73%的产率得到SbPh2Cl(O2CC6H4Me-4)2
  参考文献：
  名称：

  Diphenylantimony(V) oxo/chloro carboxylates and phosphinates: crystal structures of {SbPh2Cl[O2P(C6H11)2]}2O and [SbPh2(O2CPh)2]2O

  摘要：

  Reaction of SbPh(2)Cl(3) (1 mol) with the silver salt of dicyclohexylphosphinic acid (2 mol) afforded {SbPh(2)Cl[O2P(C6H11)(2)]}O-2 1, a similar reaction with AgO2P(C8H15)(2) gave a product formulated as {SbPh(2)Cl[O2P(C8H15)(2)]}O-2 2. Similar reactions with silver carboxylates (1:3 stoichiometry) led to the crystalline derivatives [SbPh(2)(O(2)CR)(2)]O-2 (R = Ph 3, CHPh(2) 4, 2,4,6-Me(3)C(6)H(2) 5, 2-MeC(6)H(4) 6 or 4-MeC(6)H(4) 7), whereas the 1:2 reaction afforded crystalline SbPh(2)Cl(O(2)CR)(2) (R = Ph 8, 2-MeC(6)H(4) 9 or 4-MeC(6)H(4) 10). Interconversion of the previously known compounds [SbPh(2)(O(2)CMe)(2)]O and Sb(4)Ph(8)O(6) . 3MeCO(2)H was achieved and established by H-1 NMR spectroscopy. Compounds 1 and 3 were further characterized by X-ray diffraction; the antimony in 1 is six-co-ordinated with bridging phosphinates whereas in 3 it is seven-co-ordinated with chelating benzoates. Short Sb-O (oxo) distances (1.923 Angstrom) and near linearity at the bridging oxygen (Sb-O-Sb 173.9 degrees) are observed for 3.

  DOI：

  10.1039/dt9950002151
• 作为产物：
  描述：

  对甲基苯甲酸 、 silver carbonate 以 甲醇 、 水 为溶剂， 生成 silver(I) 4-methylbenzoate
  参考文献：
  名称：

  Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: Trends in alkylbenzoates

  摘要：

  Reaction of Ag2CO3 with four methyl-substituted derivatives of benzoic acid afforded silver benzoates; no additional anions are involved in these solids. One of the silver carboxylates was studied by X-ray diffraction: in the crystal, silver 3,5-dimethylbenzoate monohydrate consists of carboxylato-bridged discrete dinuclear molecules with a short Ag center dot center dot center dot Ag separation of 2.7719(5) angstrom and one weakly bonded hydrate water molecule per cation. The binary silver carboxylates were combined with either racemic or enantio-pure trans-1,2-diaminocyclohexane and resulted in four homochiral and four heterochiral crystalline solids. All eight structures feature cationic chain polymers, carboxylate anions and hydrate water. In three of the solids derived from the racemic ligand, the individual cationic chains are homochiral. In all structures, the primary coordination of the Ag(I) centers by nitrogen is essentially linear. Despite the chemical similarity in the anions, the backbone of the polymers proved to be conformationally soft with variable Ag-N-C-C torsion angles. In the resulting structures, the diamine ligand may bridge two cations in a wide distance range between ca. 3.0 and ca. 7.2 angstrom. Both the chirality of the trans-1,2-diaminocyclohexane ligand and the substitution pattern of the benzoate anion have strong impact on the nature of secondary interactions perpendicular to the polymer strands: either weak coordination by carboxylato or hydrate water oxygen atoms or argentophilic interactions are encountered. The Ag center dot center dot center dot Ag contacts increase the dimensionality of the solids from chain polymers to layer structures. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.04.030

文献信息

• Synthesis, Structure and Catalytic Activity of NHC-Ag^I Carboxylate Complexes
  作者：Valerie H. L. Wong、Sai V. C. Vummaleti、Luigi Cavallo、Andrew J. P. White、Steven P. Nolan、King Kuok Mimi Hii

  DOI：10.1002/chem.201601762

  日期：2016.9.5

  A general synthetic route was used to prepare 15 new N‐heterocyclic carbene (NHC)–AgI complexes bearing anionic carboxylate ligands [Ag(NHC)(O2CR)], including a homologous series of complexes of sterically flexible ITent ligands, which permit a systematic spectroscopic and theoretical study of the structural and electronic features of these compounds. The complexes displayed a significant ligand‐accelerated

  一条通用的合成路线用于制备15种带有阴离子羧酸盐配体[Ag（NHC）（O 2 CR）]的N-杂环卡宾（NHC）-Ag I配合物，包括一系列具有空间柔性的I Tent配体的配合物，可以对这些化合物的结构和电子特征进行系统的光谱和理论研究。该复合物在炔丙基酰胺至恶唑烷的分子内环化中显示出显着的配体促进作用。底物范围与以前通过NHC-Au和吡啶基-Ag I复合物实现的范围高度互补。
• Visible Light Mediated, Redox Neutral Remote 1,6-Difunctionalizations of Alkenes
  作者：Wei Shu、Estíbaliz Merino、Cristina Nevado

  DOI：10.1021/acscatal.8b00707

  日期：2018.7.6

  A photoinduced cascade strategy is presented here for the remote functionalization of alkenes under redox neutral conditions. A broad portfolio of alkyl groups has been added to double bonds to produce, upon 1,5-HAT, remote C-centered radicals which can be harvested in the presence of O- or C-nucleophiles to efficiently form Csp3–O and Csp3–Csp2 bonds at room temperature.

  本文介绍了一种光诱导级联策略，用于在氧化还原中性条件下对烯烃进行远程官能化。在双键上添加了广泛的烷基基团，可在1,5-HAT上产生以C为中心的远程基团，这些基团可在O-或C-亲核试剂存在下收获，以有效形成Csp 3 -O和Csp室温下3 –Csp 2键。
• Novel developing agents for (photo) thermographic systems
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0681210A1

  公开（公告）日：1995-11-08

  A thermographic element comprising in a non-aqueous binder medium a silver salt oxidising agent in reactive association with a compound comprising a plurality of redox colour releasing moieties such that oxidation of each redox colour releasing moiety causes release from said compound of a thermally diffusible dye. The compounds many of which are new incorporate two or more developer moieties into a single molecule to minimise the diffusibility of the compound. Following oxidation, either directly by the silver salt or by means of a cross-oxidising agent, each oxidised developer moiety releases a thermally diffusible dye. The compounds are of sufficient size and molecular weight to slow or prevent diffusion in imaging systems and yet possess several active developer moieties per molecule which is advantageous over known ballasted dye releasers which comprise bulky molecules with only a single developer moiety.

  一种热成像元素，包括在非水性粘合剂介质中，一种银盐氧化剂与含有多个氧化还原色释放基团的化合物反应地结合，使得每个氧化还原色释放基团的氧化引起所述化合物中的热扩散染料的释放。这些化合物中的许多是新的，将两个或更多的显影剂基团结合到一个分子中，以减少化合物的扩散性。在氧化后，通过银盐直接氧化或通过交叉氧化剂，每个氧化的显影剂基团释放出一个热扩散染料。这些化合物足够大且具有足够的分子量，以在成像系统中减慢或阻止扩散，但每个分子中具有多个活性显影剂基团，这比已知的只包含单个显影剂基团的笨重分子的配重染料释放剂更具优势。
• Monoaminophenazine leuco dyes and photothermographic materials containing same
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0671393A1

  公开（公告）日：1995-09-13

  Photothermographic elements incorporating leuco forms of phenazinium dyes to provide a developed colour image. The dye has a nucleaus of the general formula: in which;    X represents    Y is H or any substituent other than amino or amido,    R¹, R², R⁴ and R¹⁰ are independently selected from H, alkyl, aryl, alkylsulfonyl, arysulfonyl, alkylcarbonyl, arylcarbonyl, or    R¹ and R² together represent the necessary atoms to complete a cyclic structure or one or more of R¹, R² and R⁴ represent the necessary atoms to complete a cyclic structure fused to the nucleus having skeletal atoms selected from C, N, 0 and S, and    R¹¹ represents any group which will not prevent oxidative cleavage of the X-N bond,    with the proviso that when R¹ is C₂H₅    R² is not C₂H₄NHSO₂CH₃.

  光热成像元件采用苯并二氮杂染料的白态形式，以提供发展后的彩色图像。该染料具有一般式的核：其中; X代表; Y为H或任何不是氨基或酰胺基的取代基，R¹，R²，R⁴和R¹⁰独立地选自H，烷基，芳基，烷基磺酰基，芳基磺酰基，烷基羰基，芳基羰基，或R¹和R²一起代表必要的原子以完成环状结构，或者R¹，R²和R⁴中的一个或多个代表必要的原子以完成与骨架原子（选自C，N，0和S）融合的环状结构，R¹¹代表任何不会防止X-N键的氧化裂解的基团，但当R¹为C₂H₅时，R²不为C₂H₄NHSO₂CH₃。
• Coexistent Ag⋯Ag and Ag⋯C interactions in three photoluminescent silver(I) coordination networks based on o-, m-, p-methylbenzoic acid
  作者：Di Sun、Fu-Jing Liu、Hong-Jun Hao、Rong-Bin Huang、Lan-Sun Zheng

  DOI：10.1016/j.molstruc.2011.09.054

  日期：2011.12

  Abstract Three new silver(I) coordination polymers (CPs) [Ag 4 ( o -mba) 4 ] n ( 1 ), [Ag 2 ( m -mba) 2 ] n ( 2 ) and [Ag 2 ( p -mba) 2 ] n ( 3 ) have been constructed from AgNO 3 and three isomeric ligands, o -, m -, p -methylbenzoic acid (Hmba = methylbenzoic acid), and characterized by elemental analysis, infrared (IR) spectroscopy, powder X-ray diffraction (PXRD), and single crystal X-ray diffraction

  摘要 三种新型银(I)配位聚合物(CPs) [Ag 4 ( o -mba) 4 ] n ( 1 ), [Ag 2 ( m -mba) 2 ] n ( 2 ) 和[Ag 2 ( p -mba) 2 ] n ( 3 ) 由 AgNO 3 和三个异构配体 o -, m -, p - 甲基苯甲酸（Hmba = 甲基苯甲酸）构建而成，并通过元素分析、红外 (IR) 光谱、粉末 X 射线表征衍射 (PXRD) 和单晶 X 射线衍射。在 1 中，μ 3 – η 1 : η 2 和 μ 4 – η 1 : η 3 o -mba 配体连接 Ag(I) 离子以形成基于具有折叠菱形几何形状的四核 Ag(I) 聚集体的一维链。当甲基从 o 位移动到 m 位时，我们得到 2 作为类似的一维链，但包含平行四边形四核 Ag(I) 聚集体，其中两个晶体学独立的 m-mba 配体显示相同的 μ 3 – η 1 ： η 2 协调方式。使用