5,12-diphenyl-7,14-dimethyl-1,4,8,11-tetraazacyclotetradecane | 60435-53-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 5,12-diphenyl-7,14-dimethyl-1,4,8,11-tetraazacyclotetradecane
• 英文别名: 5RS,7RS,12SR,14SR-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetraazacyclotetradecane；meso-meso-(R,S,R,S)-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetraazacyclotetradecane；meso-meso-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetra-azacyclotetradecane；5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetraaza-cyclotetradecane；(5R,7R,12S,14S)-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetrazacyclotetradecane
• CAS: 60435-53-2
• 化学式: C₂₄H₃₆N₄
• 分子量: 380.577
• InChiKey: NBZVMZJMVVWIJD-GKIBHXGMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  48.1
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  二甲基-乙烯基磷酸酯 、 5,12-diphenyl-7,14-dimethyl-1,4,8,11-tetraazacyclotetradecane 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 22.0h， 以20%的产率得到(5S,7S,12R,14R)-1,8-bis[2-[dimethoxy(oxido)phosphaniumyl]ethyl]-7,14-dimethyl-5,12-diphenyl-1,4,8,11-tetrazacyclotetradecane
  参考文献：
  名称：

  Boetzel, R.; Failla, S.; Finocchiaro, P., Phosphorus, Sulfur and Silicon and the Related Elements, 1995, vol. 104, # 14, p. 71 - 80

  摘要：

  DOI：

文献信息

• Chromium(III) Bis-alkynyl complexes supported by C-substituted cyclam MPC
  作者：Ashley J. Schuman、Madeline M. Mills、Leobardo Rodriguez Segura、Lyndsy A. Miller-Clark、Tong Ren

  DOI：10.1016/j.jorganchem.2021.122110

  日期：2021.12

  making it desirable for the pursuit of dissymmetric bis-alkynyl complexes in significant quantity. Reported herein are the synthesis and characterization of trans-[Cr(MPC)(C2Ar)2]+ complexes, where Ar is Ph (1), Np (2), or C6H4tBu (3). Complexes 1 – 3 have structural and optical properties similar to previous CrIII bis-alkynyl complexes based on single-crystal X-ray diffraction, UV-vis and phosphorescence

  大环 Cr III双炔基配合物最近被用作合成单炔基配合物的前体，它可以作为合成中间体以形成不对称的双炔基配合物。的反式立体化学是必不可少的，以产生稳定的大环铬III单-炔复合物，然而，先前探测cyclam（1,4,8,11-四氮杂）及其衍生物严重偏向顺铬插入后的异构体。所述Ç取代cyclam MPC（5,12-二甲基-7,14-二苯基-1,4,8,11-四氮杂）已经显示出朝向一个值得注意的偏好反插入 Cr 后的异构体，使其成为追求大量不对称双炔基配合物的理想选择。本文报道了反式-[Cr(MPC)(C 2 Ar) 2 ] +配合物的合成和表征，其中Ar是Ph( 1 )、Np( 2 )或C 6 H 4 t Bu ( 3 )。配合物1 - 3具有类似于先前的Cr结构和光学性质III基于单晶X射线衍射，UV-vis和磷光光谱学表征双-炔复合物。
• Cobalt(III) and rhodium(III) complexes of mesa-5,12-dimethyl-7,14-di-phenyl-1,4,8,11-tetra-azacyclotetradeca-4,11-diene and meso-meso-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetra-azacyclotetradecane
  作者：Robert W. Hay、Peter M. Gidney

  DOI：10.1039/dt9760000974

  日期：——

  The preparation and properties of the following cobalt(III) and rhodium(III) complexes of the macrocycle meso-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetra-azacyclotetradeca-4.1 1-diene (L1) and one of the three isomers obtained by Na[BH4] reduction. meso-meso-5,12-dimethyl-7,14-diphenyl-1,4,8,11 -tetra-azacyclotetradecane (L2), are described: trans-[RhCl2(L1)][ClO4]. trans-[RhCl2(L2)]Cl·H2O, and tra

  大环内消旋-5,12-二甲基-7,14-二苯基-1,4,8,11-四氮杂环十四碳-4.1 1-二烯的大环钴（III）和铑（III）配合物的制备和性质（L 1）和通过Na [BH 4 ]还原获得的三种异构体之一。描述了内消旋-内消旋-5,12-二甲基-7,14-二苯基-1,4,8,11-四氮杂环十四烷（L 2）：反式-[RhCl 2（L 1）] [ClO 4 ]。反式-[RhCl 2（L 2）] Cl·H 2 O，反式-[RhL 2（OH 2）2 ] [ClO 4 ] 3 ·2H 2 O：反式-[CoCl 2（L 1）] [ClO 4 ]，反式-[CoCl 2（L 1）] Cl·3H 2 O ，反式-[CoBr 2（L 1）] [ClO 4 ]，反式-[CoCl（L 1）（NO 2）] [ClO 4 ]，反式-[CoCl（L 1）（NO 2）] Cl·1.5 H 2 O，反式-[CoBr（L
• Compounds of nickel(II) with 5RS,7RS,12SR,14SR-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetraazacyclotetradecane, mmL2; the structures of δ-[Ni(mmL2)](ClO4)2, trans-β-[Ni(mmL2)(NO2-N)2] and cis-α-[Ni(mmL2)(acac)]ClO4
  作者：Donald F Cook、Neil F Curtis、Clifton E.F Rickard、Joyce M Waters、David C Weatherburn

  DOI：10.1016/s0020-1693(03)00226-3

  日期：2003.11

  Reduction of the imine functions of 7RS,14SR-(5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)-nickel(II) gives the meso-meso (5RS,7RS,12SR,14SR) and rac-meso (5RS,7RS,12RS,14SR) isomers of (5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetraazacyclotetradecane)nickel(II), [Ni(mmL(2))](2+) and [Ni(rmL(2))](2+), in approximately 6:1 proportions. Most compounds of [Ni(mmL(2))](2+) have the arnine in planar coordination with the 1RS, 4RS, 8SR, 11SR N-configuration III (labelled beta) of the nitrogen centres as square-planar singlet ground state salts beta-[Ni(mmL(2))]X-2 (X- = ClO4-, 1/2[ZnCl4](2-)) or as octahedral triplet ground state compounds trans-beta-[Ni(mmL(2))X-2] (X- = Cl-, Br-, I-, N-3(-) NO3-, HCO3-, MeCO3-, NCS-, NO2-, CN-), trans-beta-Ni(mmL(2))(CN)(ClO4), bis-adducts trans-beta-[Ni(mmL(2))Y-2]ClO4)(2) (Y = MeCN, DMSO, DMF, pyridine, MeNO2, NH3) and trans-mu-anion polymeric compounds [beta-Ni(mmL(2))Z] (Z(2-) = C2O42-, SO42-, CO32-, [Ni(CN)(4)](2-)). Centrosymmetrical trans-beta-[Ni(mmL(2))(NO2-N)(2)] has N-configuration III, with all chelate rings in optimum chair or gauche conformations, with all substituents equatorially oriented and with mean distances Ni-N-amine = 2.083(2), Ni-N-nitro = 2.183(2) Angstrom. Reaction of trans-beta-[Ni(mmL(2))(HCO3)(2)].H2O with alcohols form compounds of mono-alkyl carbonate esters, trans-beta-[Ni(mmL(2))(CO2OR)(2)]. Compounds cis-alpha-[Ni(mmL(2))(A)]ClO4 (A= pentane-2,4-dionato(-), 1/2C(2)O(4)(2-) have the macrocycle folded. The acac(-) compound has the 1RS, 4RS, 8RS, 11RS N-configuration V with mean distances Ni-N 2.121(3), Ni-O = 2.042(3) Angstrom and angles N(4)-Ni-N(11 1) = 173.2(1), N(1)-Ni-N(8) = 95.1(1)degrees, with one six-membered chelate ring in a chair conformation with the substituents equatorially oriented and the other in a boat conformation that orients the substituents pseudo-equatorially. The folded macrocycle compounds react with acid to form a metastable [Ni(mmL(2))](2+) cation, isolated as the perchlorate salt delta-[Ni(mmL(2))](ClO4)(2) with the 1RS,4RS,5SR,7SR,8SR,11RS,12RS,14RS configuration, N-configuration II. The square-planar cation is tetrahedrally twisted with N-atoms +/-0.103 Angstrom and Ni atom 0.043 Angstrom from the best N-4 plane, with mean Ni-N = 1.933(6) Angstrom. One six-membered chelate ring is in a chair conformation with the substituents equatorially oriented, and the other in a twist conformation with the methyl substituent axially and the phenyl substituent equatorially oriented. Relative strain energies for the isomeric cations were calculated by molecular mechanics. (C) 2003 Published by Elsevier B.V.
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Rh: SVol.B2, 2.3.3.5, page 206 - 206
  作者：

  DOI：——

  日期：——
• Boetzel, R.; Failla, S.; Finocchiaro, P., Phosphorus, Sulfur and Silicon and the Related Elements, 1995, vol. 104, # 14, p. 71 - 80
  作者：Boetzel, R.、Failla, S.、Finocchiaro, P.、Haegele, G.

  DOI：——

  日期：——