chromium(III) acetylacetonate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: chromium(III) acetylacetonate
• 英文别名: Cr(acac)₃；chromium acetylacetonate；Cr(III) acetylacetonate；Cr(acetylacetonate)₃；chromium(3+);(Z)-4-oxopent-2-en-2-olate
• 化学式: C₁₅H₂₁CrO₆
• 分子量: 349.324
• InChiKey: JWORPXLMBPOPPU-LNTINUHCSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -0.48
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  120
• 氢给体数：
  0
• 氢受体数：
  6

ADMET

毒理性

• 副作用

ACGIH 致癌物 - 未分类。

ACGIH Carcinogen - Not Classifiable.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

反应信息

• 作为反应物：
  描述：

  chromium(III) acetylacetonate 以 neat (no solvent) 为溶剂， 生成 铬
  参考文献：
  名称：

  Carbon monoxide oxidation by atmospheric oxygen on catalysts prepared by pyrolysis of transition metal β-diketonates on the synthetic foam ceramics

  摘要：

  The results of development of new catalytic systems for the carbon monoxide oxidation to dioxide are systematized. The catalysts were produced by gas-phase thermal decomposition of the transition metal acetylacetonates on the synthetic foam ceramics. The kinetic and activation parameters of the oxidation on the catalysts were studied and their relative activity was explored. The activity of catalysts at the oxidation with air oxygen were found to depend on the nature of the deposited metal and the carrier. A synergistic effect in the bimetallic copper catalysts was revealed.

  DOI：

  10.1134/s1070363212010185
• 作为产物：
  描述：

  tris(3-diethylthiophosphato-2,4-pentadionate) chromium 在 盐酸 、 苯硫酚 作用下， 以 氯仿 为溶剂， 反应 0.25h， 生成 chromium(III) acetylacetonate
  参考文献：
  名称：

  β-二酮金属盐的亚磺酰氯衍生物的反应

  摘要：

  研究了铑和乙酰丙酮钌钌的亚磺酰氯衍生物以及β-二酮铬（III）和钴（III）（具有β-苯基）的反应。研究的配合物可以参与取代和加成反应。与先前研究的乙酰丙酮配合物的亚磺酰氯相比，在β-苯基螯合物的情况下会发生许多副反应。它们降低了产物收率并使纯化复杂化。在二苯甲酰次甲基配合物的情况下，还原反应很容易发生，产生部分取代的螯合物杂质。

  DOI：

  10.1134/s1070363213110169
• 作为试剂：
  描述：

  2-氯-4,4,5,5-四甲基-1,3,2-二氧磷杂环戊烷 、 山奈酚 在 chromium(III) acetylacetonate 作用下， 以 氘代吡啶 、 氘代氯仿 、 环己醇 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  ³¹P NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY OF POLYPHENOL-CONTAINING OLIVE OIL MODEL COMPOUNDS

  摘要：

  Phosphitylation of the free hydroxyl and carboxyl groups of a series of polyphenol-containing olive oil model compounds with 2-chloro-4,4,5,5-tetramethyl-dioxaphospholane allows their classification on the basis of P-31 NMR chemical shifts. Unambiguous assignment of the P-31 NMR chemical shifts of the dihydroxy- and polyhydroxy-phenols has been achieved by employing one and two-dimensional NMR techniques. Furthermore, integration of the appropriate signals of the hydroxyl derivatives in the corresponding P-31 NMR spectra allows the quantification of these compounds. This study forms the basis for the development of a novel and sensitive method that can be used to obtain valuable information about polyphenols that are present in olive oils.

  DOI：

  10.1080/10426500108040591

文献信息

• Cycloheptatrienylmolybdenum complexes. Part 2. Synthesis of cationic acetylacetonate derivatives [ Mo(acac)L(η⁷-C₇H₇)]⁺(L = H₂O, PEt₃, PMe₂Ph, PMePh₂, P(OMe)₃, AsMe₂Ph, or py); molecular and crystal structure of [Mo(acac)(H₂O)(η⁷-C₇H₇)][BF₄]
  作者：Michael Green、Howard P. Kirsch、F. Gordon A. Stone、Alan J. Welch

  DOI：10.1039/dt9770001755

  日期：——

  The cations [Mo(CO)3(η7-C7H7)]+ and [Mo(η6-C6H5Me)(η7-C7H7)]+ react with an excess of acetylacetone in dry tetrahydrofuran to form the seventeen-electron aqua-complex [Mo(acac)(H2O)(η7-C7H7)]+, from which the water molecule may be displaced affording the species [Mo(acac)L(η7-C7H7)]+(L = PEt3, PMe2Ph, PMePh2, P(OMe)3, AsMe2Ph, or py). 1,2-Bis(diphenylphosphino)ethane (dppe) reacts with the aqua-complex

  阳离子[沫（CO）3（η 7 -C 7 ħ 7）] +和[沫（η 6 -C 6 H ^ 5 Me）的（η 7 -C 7 ħ 7）] +与过量的乙酰丙酮的反应干燥四氢呋喃以形成17-电子水产络合物[沫（ACAC）（H 2 O）（η 7 -C 7 ħ 7）] +，从该水分子可以被移位得到的物种[沫（ACAC）L- （η 7 -C 7 ħ 7）] +（L = PET3，PMe 2 Ph，PMePh 2，P（OMe） 3，AsMe 2 Ph或py）。1,2-双（二苯基膦基）乙烷（dppe）反应与水产复杂，得到dimolybdenum双阳离子[沫2（ACAC） 2（DPPE）（η 7 -C 7 ħ 7） 2 ] 2+。标题化合物的晶体为单斜晶，空间群P 2 1 / n，其a = 8.664（9）， b = 18.997（4）， c = 9.625（13）Å，β= 112.39（8）°。结构已精炼为R0
• Bis(2,4-pentanedionato)phenylchromium(III). Preparation and Reactions with Organic Carbonyl Compounds and Alcohols
  作者：Takashi Ito、Tsukasa Ono、Kazunori Maruyama、Akio Yamamoto

  DOI：10.1246/bcsj.55.2212

  日期：1982.7

  intermediate is proposed. Reactions of 1 with esters proceed similarly to give diphenylmethanol derivatives and alkoxochromium complexes. Complex 1 reacts with ROH to give benzene and alkoxo complexes [Cr(OR)(acac)2]n [n=1 or 2) which were characterized by means of IR spectra, elemental analyses, molecular weight measurements, magnetic susceptibilities, and chemical reactions. The reactions of 1 with β-dicarbonyl

  以Cr(acac)3 和AlPh3·Et2O 为原料制备了苯基铬配合物CrPh(acac)2 (1)（acac=2,4-戊二酮配体）。配合物 1 与丙酮反应生成苯、2-苯基-2-丙醇和异亚甲基氧，并转化为羟基配合物 [Cr(OH)(acac)2]2。提出了将丙酮的羰基插入 Ph-Cr 键中产生烷氧基中间体的机制。1 与酯的反应类似地进行，得到二苯甲醇衍生物和烷氧铬配合物。配合物 1 与 ROH 反应生成苯和烷氧基配合物 [Cr(OR)(acac)2]n [n=1 或 2)，通过红外光谱、元素分析、分子量测量、磁化率和化学性质对其进行表征反应。1 与 β-二羰基化合物反应生成相应的混合螯合物 Cr(β-dic)(acac)2，
• Ligand exchanging reactions of M(acac)3 (M=Cr or Co) in Lewis acidic conditions
  作者：Yoshiharu Nakano、Takatoshi Noguchi、Tsuneo Adachi、Shoichi Sato

  DOI：10.1016/s0020-1693(02)01232-x

  日期：2003.1

  Abstract Ligand exchanging reactions of tris(2,4-pentanedionato)M (M=Cr or Co) complexes with various bidentate under Lewis acidic conditions gave mixed metal complexes, bis(2,4-pentanedionato)ML (L=bidentate ligand) selectively. In the case of Cr(acac)3, intermediate cis-[Cr(acac)2(H2O)2]BF4 complex was isolated and the crystal structure of the intermediate complex was determined. Various mixed complexes

  摘要在路易斯酸性条件下，Tris（2,4-pentanedionato）M（M = Cr或Co）配合物与各种双齿​​的配体交换反应可选择性地生成混合金属配合物bis（2,4-pentanedionato）ML（L =双齿配体）。 。在Cr（acac）3的情况下，分离出中间体cis- [Cr（acac）2（H2O）2] BF4配合物，并确定了该中间体配合物的晶体结构。[M（acac）2 L]类型的各种混合配合物（M ＝ Cr或Co，L ＝各种二齿配体）可以通过上述中间体通过一锅合成来制备。在这些反应中，最有趣的是乙氧基丙二酸丙二酸酯。分离出的络合物是来自铬和钴络合物反应的相同类型的络合物。
• Synthesis of a pyrone derivative from carbon suboxide and acetylacetone catalyzed by acetylacetonate-metal complexes
  作者：Luciano Pandolfo、Gastone Paiaro

  DOI：10.1016/0304-5102(84)85092-0

  日期：1984.12

  Bis(pentane-2,4-dionate)-metal, M(acac)2, (where M = Zn, Co, Ni and Cu) reacts quickly and in high yield with carbon suboxide, C3O2, at the methine position. The reaction produces 1:2 adducts which are insoluble in all organic solvents. The reaction of these adducts with aqueous HCl forms 5-acetyl-2-hydroxy-6-methyl-4-pyrone (AHMP).

  双（戊烷-2,4-二酸）金属M（acac）2（其中M = Zn，Co，Ni和Cu）在次甲基位置与次氧化碳C 3 O 2迅速反应并高收率。该反应产生不溶于所有有机溶剂的1：2加合物。这些加合物与HCl水溶液的反应形成5-乙酰基-2-羟基-6-甲基-4-吡喃酮（AHMP）。
• Process for making metal acetylacetonates
  申请人：Council of Scientific and Industrial Research

  公开号：US20040127690A1

  公开（公告）日：2004-07-01

  The present invention provides an improved, economical and environmentally benign process for metal complexes of acetylacetone having the general formula, M(acac) n wherein M is a metal cation selected from the group consisting of Fe, Co, Ni, Cu, Zn, Al, Ca, Mg, Mo, Ru, Re, U, Th, Ce, Na, K, Rb, Cs, V, Cr, and Mn etc., n is an integer which corresponds to the electrovalence of M, are obtained by reacting the corresponding metal hydroxide, metal hydrated oxide or metal oxide with a stoichiometric amount of acetylacetone and separating the product.

  本发明提供了一种改进的、经济的和环境友好的过程，用于具有一般公式M(acac)n的乙酰丙酮金属络合物，其中M是从Fe、Co、Ni、Cu、Zn、Al、Ca、Mg、Mo、Ru、Re、U、Th、Ce、Na、K、Rb、Cs、V、Cr和Mn等金属阳离子组成的金属阳离子，n是与M的电价相对应的整数，通过将相应的金属氢氧化物、金属水合氧化物或金属氧化物与适量的乙酰丙酮反应并分离产物获得。

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