10,22-Dimethyl-3,6,14,18-tetrazatricyclo[18.3.1.18,12]pentacosa-1(23),8,10,12(25),20(24),21-hexaene-24,25-diol | 103793-59-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 10,22-Dimethyl-3,6,14,18-tetrazatricyclo[18.3.1.18,12]pentacosa-1(23),8,10,12(25),20(24),21-hexaene-24,25-diol
• CAS: 103793-59-5
• 化学式: C₂₃H₃₄N₄O₂
• 分子量: 398.549
• InChiKey: FSGVSCNYOQRUES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  29
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  88.6
• 氢给体数：
  6
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  10,22-Dimethyl-3,6,14,18-tetrazatricyclo[18.3.1.18,12]pentacosa-1(23),8,10,12(25),20(24),21-hexaene-24,25-diol 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Macrocyclic Mononuclear VIV and VV, Heterodinuclear VIVNiII, and Heterotrinuclear VIVNiIIVV Complexes: Synthesis, Structure, Electrochemistry, and Magnetochemistry

  摘要：

  A macrocyclic tetramine-diphenol Ligand (H(2)L(2)) with two different cavity sizes provided by an ethylene and propylene bridge, respectively, between the two sets of amine groups, on reaction with VO(acac)(2) produces a mixture of monomeric oxovanadium(IV) and -(V) complexes of the [L(2)](2-) anion. This mixture reacts with nickel(II) perchlorate and affords three compounds of composition [((VO)-O-IV)L(2)Ni(H2O)(2)] (ClO4)(2) (4), [{((VO)-O-IV)L(2)Ni(H2O)}{((VO2)-O-V)(HL(2))}](ClO4)(2) . 3H(2)0 . 2 . 5CH(3)OH (5) and [NiL(2)((VO)-O-IV)](ClO4)(2) (6). Complex 4 reacts with pyridine to produce [((VO)-O-IV)L(2)Ni(py)](ClO4)(2) . H2O (7). The coordination geometry of nickel is octahedral in 4 and 5, square planar in 6, and square pyramidal in 7. Vanadyl(IV) sulfate on reaction with H(2)L(2) affords [((VO)-O-IV)(H(2)L(2))(SO4)]. 5H(2)O (8) as the sole product, in which both of the amino nitrogens of the -NH(CH2)(2)NH- moiety are protonated. Complex 8 reacts with Ni(acac)(2) to produce [NiL(2)((VO)-O-IV)(SO4)]. H2O (10), in which the nickel is square planar. Complexes 4, 6, 7, and 10 exhibit geometrical and positional isomerism. The cyclic voltammograms for 6, 8, [((VO)-O-IV)H(2)L(2)](NO3)(2) . 2H(2)O (9) and 10 exhibit a redox couple due to (VO)-O-IV --> (VO)-O-V oxidation in all the cases. The six-coordinate oxovanadium complexes 8 and 10 undergo more facile oxidation (E(1/2) = 0.57 V vs Ag/AgCl) relative to the five-coordinate species 6 and 9 (E(1/2) = 0.80 V) Complexes 4, 5, and 7 behave ferromagnetically and the exchange coupling constants (J) for these compounds are as follows: 12 cm(-1) (4); 2 cm(-1) (5); 5 cm(-1) (7). The crystal structure of the mixed-valence heterotrinuclear complex 5 has been determined. Crystal data for 5: monoclinic; space group P2(1)/c; a = 16.611(8) Angstrom, b = 15.266(5) Angstrom, c = 24.880(4) Angstrom, beta = 95.93(2)degrees, V = 6275(4) Angstrom(3), Z = 4; R = 0.069, wR(2) = 0.183.

  DOI：

  10.1021/ic00115a012
• 作为产物：
  描述：

  N,N′-bis(3-formyl-5-methylsalicylidene)ethane-1,2-diamine 在 magnesium(II) nitrate 、 sodium tetrahydroborate 、 magnesium acetate 作用下， 以 甲醇 为溶剂， 反应 20.0h， 生成 10,22-Dimethyl-3,6,14,18-tetrazatricyclo[18.3.1.18,12]pentacosa-1(23),8,10,12(25),20(24),21-hexaene-24,25-diol
  参考文献：
  名称：

  通过改变孔的大小形成混合的自旋态大环二镍（II）配合物

  摘要：

  两个四氨基二酚大环配体的双核镍（II）配合物，其中一个（H 2 L 1）具有两个–NH（CH 2）3 NH–单元，另一个（H 2 L 2）包含一个–NH（CH 2）3已研究了NH–和一个–NH（CH 2）2 NH–部分。夹杂物中的[Ni 2 L 1（H 2 O）4 ] [ClO 4 ] 2 ·4NH 2 CONH 2 1，两个金属中心均为八面体配置。与吡啶（py）反应时，配合物1转变为方形-金字塔形的配合物[Ni 2 L 1（py）2 ] [ClO 4 ] 2。大环H 2 L 2形成混合自旋络合物[Ni 2 L 2（H 2 O）2 ] I 2 2，其中一个金属中心为正方形，另一金属中心为八面体。与吡啶反应时，配合物2产生正方形-平面-正方形-金字塔形的配合物[Ni 2 L 2（py）] I 24; 低自旋的Ni 2+的两个2和4由更小的收纳Ñ 2 Ó 2由酚氧和-NH（CH提供空腔2）2

  DOI：

  10.1039/dt9930002515

文献信息

• Hydroxide-bridged diiron(III) complexes of tetraaminodiphenol macrocyclic ligands: structure and properties
  作者：Kausik K. Nanda、Sujit K. Dutta、Sujoy Baitalik、Krishnan Venkatsubramanian、Kamalaksha Nag

  DOI：10.1039/dt9950001239

  日期：——

  Some dinuclear iron(III) complexes derived from two tetraaminodiphenol macrocyclic ligands, one (H2L1) contains two –NH(CH2)3NH– and the other (H2L2) one –NH(CH2)3NH– and one –NH(CH2)2NH– units, and an acyclic tetradentate ligand H2L3N,N′-bis(2-hydroxybenzyl)-1,3-diaminopropane} have been synthesised and studied. In all of the macrocyclic complexes [Fe2(µ-OH)2(HL1)2][ClO4]21, [Fe2(µ-OH)2L12]·2H2O

  Some dinuclear iron(III) complexes derived from two tetraaminodiphenol macrocyclic ligands, one (H2L1) contains two –NH(CH2)3NH– and the other (H2L2) one –NH(CH2)3NH– and one –NH(CH2)2NH– units, and an acyclic tetradentate ligand H2L3N,N′-bis(2-hydroxybenzyl)-1,3-diaminopropane} have been synthesised and studied. In all of the macrocyclic complexes [Fe2(µ-OH)2(HL1)2][ClO4]21, [Fe2(µ-OH)2L12]·2H2O
• Dicopper(<scp>II</scp>,<scp>II</scp>) and dicopper(<scp>I</scp>,<scp>II</scp>) complexes of a series of dinucleating macrocycles
  作者：Hisashi Ōkawa、Makoto Tadokoro、Yuichiro Aratake、Masaaki Ohba、Kenji Shindo、Minoru Mitsumi、Masayuki Koikawa、Mie Tomono、David E. Fenton

  DOI：10.1039/dt9930000253

  日期：——

  between the copper(II) ions within each complex (J based on ℋ=–2JS1S2 in the range –345 to –255 cm–1). The cyclic voltammograms show two reduction couples, CuIICuII–CuICuII and CuICuII–CuICuI. The comproportionation constants Kcom for the mixed-valence CuICuII complexes have been determined electrochemically. The Kcom value increase in the order of the macrocycles (L2,3)2– < (L2,4)2– < (L2,5)2– and (L3

  所述大环化合物dinucleatingħ 2大号米，Ñ通过两个烷烃链结合含有两个2,6-二（氨基甲基）-4-甲基苯酚的实体，（CH 2）米和（CH 2）Ñ，在胺氮已被用于制备（m，n）设置（2,3），（2,4），（2,5），（3,3）和（3,4）。已经制备了具有通式[Cu 2 L m，n ] [ClO 4 ] 2的双核铜（II）配合物。低温磁研究（80–300 K）显示，铜之间有很强的反铁磁自旋交换（II）每个络合物中的离子（J基于ℋ= –2 JS 1 S 2在–345至–255 cm –1范围内）。循环伏安显示两个减少夫妻，铜II铜II -Cu我铜II和Cu我铜II -Cu我的Cu我。混合价Cu I Cu II配合物的配位常数K com已通过电化学方法确定。所述ķ COM在大环化合物的顺序值增加（L 2,3）2– <（L 2,4）2– <（L 2,5）2–和（L 3,3）2– <（L 3
• Mohanta, Sasankasekhar; Nanda, Kausik K.; Thompson, Laurence K., Inorganic Chemistry, 1998, vol. 37, # 7, p. 1465 - 1472
  作者：Mohanta, Sasankasekhar、Nanda, Kausik K.、Thompson, Laurence K.、Floerke, Ulrich、Nag, Kamalaksha

  DOI：——

  日期：——
• Synthesis of some macrocyclic compounds containing 2,6-bis(N-alkylamino)phenol units
  作者：Sanat K. Mandal、Kamalaksha Nag

  DOI：10.1021/jo00370a029

  日期：1986.10
• Dinuclear nickel(II) complexes of a series of dinucleating macrocycles with similar or dissimilar coordination sites: synthesis, structure and physicochemical property
  作者：Yuichiro Aratake、Masaaki Ohba、Hiroshi Sakiyama、Makoto Tadokoro、Naohide Matsumoto、Hisashi Ōkawa

  DOI：10.1016/s0020-1693(00)92324-7

  日期：1993.10

  The dinucleating macrocycles H-2(L(m,n)) containing two 2,6-di(aminomethyl)-4-methylphenol entities combined through two alkane chains, -(CH2)m- (m=2, 3) and -(CH2)n- (n=2, 3, 4, 5), at the amine nitrogens, form nickel(II) complexes of the general formula [Ni2(L(m,n))(OAC)2] ((m,n)=(2,2), (2,4), (2,5), (3,3)) and [Ni2(L2,3)(OAc)(NCS)(CH3OH)]. [Ni2(L2,2)(OAc)2].10H2O crystallizs in the triclinic system of space group P1BAR with a=9.983(2), b=12.832(2), c=7.932(1) angstrom, alpha=101.29(1), beta=101.08(2), gamma=106.57(2)-degrees, V=921.1(3) angstrom3 and Z=1. The refinement converges with R=5.65 and R(w)=5.89% based on 2308 reflections with \F(o)\ > 3sigma(\F(o)\). The macrocycle adopts a folded conformation and each nickel has a cis-beta octahedral geometry with the N2O2 donor set of the macrocycle and two oxygens of a bidentate acetate group. The Ni-Ni separation bridged by two phenolic oxygens is 3.004 angstrom and the Ni-O-Ni angle is 95.6-degrees. Cryomagnetic properties (4.2-300 K) of the complexes are well reproduced based on the spin Hamiltonian K=-2JS1.S2-D(S(z1)2-S(z2)2) with a positive exchange integral (J=+10.1 to +2.1 cm-1) and a negative zero-field splitting parameter (D=-0.53 to -2.40 cm-1). Each complex shows two reduction waves and two oxidation waves attributable to the metal centers.