| 70559-56-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• CAS: 70559-56-7
• 化学式: C₁₈H₁₂CoN₄O₂*H₂O
• 分子量: 393.327
• InChiKey: UPYMFRULFDTBID-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.34
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  119.62
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 NaCN 作用下， 以 甲醇 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  Cobalt(III) alkyl complexes of 1,2-bis(2-pyridinecarboxamido)benzene (H₂bpb) and 4,5-dichloro-1,2-bis(2-pyridinecarboxamido)benzene (H₂bpc) and X-ray crystal structures of [Co(bpc)(CH₂CH₂CMeCH₂)(H₂O)] and [Co(bpb)Et(H₂O)]

  摘要：

  A series of organo and non-organo cobalt complexes of bpb and bpc ligands [H2bpb = 1,2-bis(2-pyridinecarboxamido)benzene, H2bpc = 4,5-dichloro-1,2-bis(2-pyridinecarboxamido)benzene] have been synthesised. Complexes prepared include Na[CoL(CN)2], Na[CoL(N3)2], [CoL(py)2]ClO4 and [CoL(R) (H2O)] (L = bpb or bpc; py = pyridine; R = Me, Et, Pr(i) or CH2CH2CMe = CH2). The complex [CoL(CH2CH2CMe = CH2) (H2O)] was formed as a rearrangement product from the reaction of 3,3-dimethylallyl bromide and [CoL].H2O in the presence of NaBH4 and NaOH in methanol. The complexes [Co(bpc) (CH2CH2CMe = CH2) (H2O)] 1 and [Co(bpb)Et(H2O)] 2 have been characterized by X-ray crystallography: 1, space group Pnma, a = 13.934(2), b = 12.204(2), c = 13.173(2) angstrom, Z = 4, and R = 0.046 for 1129 observed reflections; 2, space group Pnma, a = 15.072(1), b = 12.119(2), c = 9.884(3) angstrom, Z = 4, and R = 0.034 for 1387 observed reflections. Electrochemical studies on the one-electron oxidation of these complexes suggest the involvement of the equatorial ligand in these processes.

  DOI：

  10.1039/dt9910001915
• 作为产物：
  描述：

  N,N-bis(2-pyridinecarboxamide)-1,2-benzene 、 cobalt(II) diacetate tetrahydrate 在 H₂O 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  Cobalt(III) alkyl complexes of 1,2-bis(2-pyridinecarboxamido)benzene (H₂bpb) and 4,5-dichloro-1,2-bis(2-pyridinecarboxamido)benzene (H₂bpc) and X-ray crystal structures of [Co(bpc)(CH₂CH₂CMeCH₂)(H₂O)] and [Co(bpb)Et(H₂O)]

  摘要：

  A series of organo and non-organo cobalt complexes of bpb and bpc ligands [H2bpb = 1,2-bis(2-pyridinecarboxamido)benzene, H2bpc = 4,5-dichloro-1,2-bis(2-pyridinecarboxamido)benzene] have been synthesised. Complexes prepared include Na[CoL(CN)2], Na[CoL(N3)2], [CoL(py)2]ClO4 and [CoL(R) (H2O)] (L = bpb or bpc; py = pyridine; R = Me, Et, Pr(i) or CH2CH2CMe = CH2). The complex [CoL(CH2CH2CMe = CH2) (H2O)] was formed as a rearrangement product from the reaction of 3,3-dimethylallyl bromide and [CoL].H2O in the presence of NaBH4 and NaOH in methanol. The complexes [Co(bpc) (CH2CH2CMe = CH2) (H2O)] 1 and [Co(bpb)Et(H2O)] 2 have been characterized by X-ray crystallography: 1, space group Pnma, a = 13.934(2), b = 12.204(2), c = 13.173(2) angstrom, Z = 4, and R = 0.046 for 1129 observed reflections; 2, space group Pnma, a = 15.072(1), b = 12.119(2), c = 9.884(3) angstrom, Z = 4, and R = 0.034 for 1387 observed reflections. Electrochemical studies on the one-electron oxidation of these complexes suggest the involvement of the equatorial ligand in these processes.

  DOI：

  10.1039/dt9910001915

文献信息

• Aerobic Oxidation of Primary Amines to Imines in Water using a Cobalt Complex as Recyclable Catalyst under Mild Conditions
  作者：Susanta Hazra、Priti Pilania、Mayukh Deb、Ajay Kishor Kushawaha、Anil J. Elias

  DOI：10.1002/chem.201803251

  日期：2018.10.22

  Oxidative coupling of primary amines to imines has been achieved by using a water soluble cobalt complex as catalyst and air as the oxidant at near ambient conditions. Aromatic, heteroaromatic and aliphatic amines were successfully converted to the corresponding imines with yields of up to 96 %. A 20 gram scale reaction for the synthesis of imine from benzylamine in good yield is also demonstrated

  伯胺与亚胺的氧化偶联已通过在近乎环境条件下使用水溶性钴配合物作为催化剂并使用空气作为氧化剂来实现。芳香族，杂芳香族和脂肪族胺已成功转化为相应的亚胺，产率高达96％。用该方法还证明了20克规模的反应，用于从苄胺以高收率合成亚胺。已经发现该催化剂可重复使用多达五个循环。它高效，周转率（TON）高达128，并显示化学选择性，唯一的副产物是水和氨。对照实验和机理研究表明，Co II / Co III催化循环负责这些氧化转化。该反应的一些反应性中间体也已经被分离和结构表征。
• Synthesis and characterization of trans-[Co(III)(bpb)(amine)2]X (X=NCS, ClO4). X-ray crystal structure of trans-[Co(III)(bpb)(pyrrolidine)2]NCS·0.5H2O containing intermolecular NH⋯OC hydrogen-bonding
  作者：Mehdi Amirnasr、Kurt J Schenk、Soraia Meghdadi

  DOI：10.1016/s0020-1693(02)00906-4

  日期：2002.10

  and molecular structure of 1· 0.5H 2 O was determined by X-ray crystallography. The compound crystallizes in the triclinic space group P 1 , a =9.4059(8) A, b =11.3047(10) A, c =12.8451(11) A, α =81.984(2)°, β =83.761(2)°, γ =85.456(2)°, V =1341.6(2) A 3 , Z =2 and final R 1 =0.039 ( wR 2 =0.0625) for 5723 independent reflections with I >2 σ ( I ) and 368 parameters. The structure consists of chains

  摘要一系列反式-[Co（III）（bpb）（胺）2] X（X = NCS，胺=吡咯烷（prldn）（1），苄胺（bzlan）（2），X = ClO 4，胺=吡咯烷（prldn）（3），苄胺（bzlan）（4），哌啶（pprdn）（5），吗啉（mrpln）（6）和bpb = N，N'-双（2-吡啶甲酰胺） ）-1,2-苯二甲酸）已经合成，并通过元素分析，IR，UV-Vis和1 H NMR光谱进行了表征。通过X射线晶体学测定1·0.5H 2 O的晶体和分子结构。该化合物在三斜晶空间群P 1中结晶，a = 9.4059（8）A，b = 11.3047（10）A，c = 12.8451（11）A，α= 81.984（2）°，β= 83.761（2）° ，对于I> 2σ（I）和368个参数的5723次独立反射，γ= 85.456（2）°，V = 1341.6（2）A 3，Z = 2和最终R 1 = 0
• Cobalt(III) alkylperoxy complexes. Synthesis, x-ray structure, and role in the catalytic decomposition of alkyl hydroperoxides and in the hydroxylation of hydrocarbons
  作者：Lucien Saussine、Eric Brazi、Alain Robine、Hubert Mimoun、Jean Fischer、Raymond Weiss

  DOI：10.1021/ja00298a022

  日期：1985.6
• Facile planar-nonplanar N-amido interconversion at A CoIII centre
  作者：Wa-Hung Leung、Tom S.M. Hun、Kin-Ning Hui、Ian D. Williams、Donald Vanderveer

  DOI：10.1016/0277-5387(95)00267-v

  日期：1996.2
• 1,2-Bis(pyridine-2-carboxamido)benzenate(2−), (bpb)^2-:  A Noninnocent Ligand. Syntheses, Structures, and Mechanisms of Formation of [(<i>n</i>-Bu)₄N][Fe^IV₂(μ-N)(bpb)₂(X)₂] (X = CN^-, N₃^-) and the Electronic Structures of [M^III(bpb^ox1)(CN)₂] (M = Co, Fe)
  作者：Sujit K. Dutta、Udo Beckmann、Eckhard Bill、Thomas Weyhermüller、Karl Wieghardt

  DOI：10.1021/ic0001107

  日期：2000.7.24

  The well-known tetradentate ligand 1,2-bis(pyridine-2-carboxamido)benzenate(2-), (bpb)(2-), and its 4,5-dichloro analogue, (bpc)(2-), are shown to be "noninnocent" ligands in the sense that in coordination compounds they can exist in their radical one- and diamagnetic two-electron-oxidized forms (bpb(ox1))(-) and (bpb(ox2))(0) land (bpc(oX1))(-) and (bpc(ox2))(0)), respectively. Photolysis of high-spin [(n-Bu)(4)N][Fe-III(bpb)(N-3)(2)] and its (bpc)(2-) analogue in acetone solution at room temperature generates the diamagnetic dinuclear complex [(n-Bu)(4)N][Fe-2(IV)(mu-N)(bpb)(2)(N-3)(2)] and its (bpc)(2-) analogue; the corresponding cyano complex [(n-Bu)(4)N][Fe-2(IV)(mu-N)(bpb)(2)(CN)(2)] has been prepared via N-3(-) substitution by CN-. Photolysis in frozen acetonitrile solution produces a low-spin ferric species (S = 1/2) which presumably is [Fe-III(bpb(ox2))(N)(N-3)](-), as has been established by EPR and Mossbauer spectroscopy. The mononuclear complexes [(n-Bu)(4)N][Fe-III(bpb)(CN2)] (low spin), [Et4N][Co-III(bpb)(CN)(2)] and Na[Co-III(bpc)-CN)(2)].3CH(3)OH can be electrochemically or chemically one-electron-oxidized to give [Fe-II(bpb(ox1))(CN)(2)](0) (S = 0), [Co-III(bpb(ox1))(CN)(2)](0) (S = 1/2), and [Co-III(bpc(ox1))(CN)(2)](0) (S = 1/2). All complexes have been characterized by UV-vis, EPR, and Mossbauer spectroscopy, and their electro- and magnetochemistries have been studied. The crystal structures of [(n-Bu)(4)N][Fe-III(bpb)(N-3)(2)].1/2C(6)H(5)CH(3), Na[Fe-III(bpb)(CN)(2)], Na[Co-III(bpc)(CN)(2)].3CH(3)OH, [(n-Bu)(4)N][Fe-2(IV)(mu-N)(bpb)(2)(CN)(2)], and [(n-Bu)(4)N][Fe-2(IV)(mu-N)(bpb)(N-3)(2)] have been determined by single-crystal X-ray diffraction.