2-bromo-6-[(3-cyclohexylaminopropylimino)methyl]phenol | 1451054-32-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-bromo-6-[(3-cyclohexylaminopropylimino)methyl]phenol
• 英文别名: 2-bromo-6-[3-(cyclohexylamino)propyliminomethyl]phenol
• CAS: 1451054-32-2
• 化学式: C₁₆H₂₃BrN₂O
• 分子量: 339.275
• InChiKey: HGFHZSZMFWBEJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  44.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-bromo-6-[(3-cyclohexylaminopropylimino)methyl]phenol 、 nickel(II) acetate tetrahydrate 以 甲醇 为溶剂， 反应 1.0h， 以49%的产率得到
  参考文献：
  名称：

  镍（II）和锌（II）与3-溴水杨醛的席夫碱形成的配合物的合成，结构和抗菌活性

  摘要：

  由3-溴水杨醛与N-环己基丙烷-衍生的席夫碱2-溴-6-[（3-环己基氨基丙基亚氨基）甲基]苯酚（HCMP）和2-溴-6-[（3-二甲基氨基丙基亚氨基）甲基]苯酚（HDMP）。 1,3-二胺和N，N-二甲基丙烷-1,3-二胺，及其镍（II）和锌（II）配合物[Ni（CMP）2 ]（I）和[ZnCl 2（HDMP）] （II）已经通过元素分析，IR和单晶X射线晶体学测定来制备和表征。I的晶体是单斜晶体：空间群P 2 1 / c，a = 12.0304（6），b = 13.1594（6），c= 10.2445（5），β= 101.019（1）°，V = 1591.9（1）埃3，ž = 2 II的晶体是单斜晶系：空间群Ç 2 / C，A = 22.286（5），b = 12.210（3），C ^ = 14.513（3），β= 124.118（3）°，V = 3269.5（13）一种3，ž通过酚盐O

  DOI：

  10.1134/s1070328413110092
• 作为产物：
  描述：

  3-溴柳醛 、 N-(3-氨丙基)环己胺 以 甲醇 为溶剂， 反应 1.0h， 以100%的产率得到2-bromo-6-[(3-cyclohexylaminopropylimino)methyl]phenol
  参考文献：
  名称：

  镍（II）和锌（II）与3-溴水杨醛的席夫碱形成的配合物的合成，结构和抗菌活性

  摘要：

  由3-溴水杨醛与N-环己基丙烷-衍生的席夫碱2-溴-6-[（3-环己基氨基丙基亚氨基）甲基]苯酚（HCMP）和2-溴-6-[（3-二甲基氨基丙基亚氨基）甲基]苯酚（HDMP）。 1,3-二胺和N，N-二甲基丙烷-1,3-二胺，及其镍（II）和锌（II）配合物[Ni（CMP）2 ]（I）和[ZnCl 2（HDMP）] （II）已经通过元素分析，IR和单晶X射线晶体学测定来制备和表征。I的晶体是单斜晶体：空间群P 2 1 / c，a = 12.0304（6），b = 13.1594（6），c= 10.2445（5），β= 101.019（1）°，V = 1591.9（1）埃3，ž = 2 II的晶体是单斜晶系：空间群Ç 2 / C，A = 22.286（5），b = 12.210（3），C ^ = 14.513（3），β= 124.118（3）°，V = 3269.5（13）一种3，ž通过酚盐O

  DOI：

  10.1134/s1070328413110092

文献信息

• Synthesis, X-Ray Structural Characterization, and Catalytic Property of a Manganese (II) Complex With 2-Bromo-6-[(3-cyclohexylammoniopropylimino)methyl]phenolate and Thiocyanate Ligands
  作者：Qiwen Yang、Yan Lei、Pu Wang

  DOI：10.1080/15533174.2013.799211

  日期：2014.9.14

  analysis indicates that the complex is a mononuclear manganese species, which possesses crystallographic inversion center symmetry. The Mn atom, lying on the inversion center, is coordinated in an octahedral coordination by two phenolate O and two imine N atoms from two Schiff base ligands, and two thiocyanate N atoms. The catalytic property for epoxidation of styrene by the complex has also been tested.

  合成了一种新的锰（II）配合物[MnL 2（NCS）2 ]·2H 2 O，其具有3-溴水杨醛与N-环己基丙烷-1,3-二胺衍生的席夫碱配体，并通过物理化学方法和结构表征-晶体X射线测定。该复合物的晶体在单斜空间群C 2 / c中结晶，a = 24.749（2），b = 7.2957（7），c = 26.183（4）Å，β = 118.70（2）°，V = 4171.6（ 8）3，ž = 4，- [R 1 = 0.0893，WR 2 = 0.2305，GOOF = 1.084。X射线分析表明该络合物为单核锰，具有晶体学反演中心对称性。位于反转中心的Mn原子由两个Schiff碱配体上的两个酚盐O和两个亚胺N原子以及两个硫氰酸盐N原子以八面体配位的形式进行配位。还测试了该配合物对苯乙烯环氧化的催化性能。
• SYNTHESIS, CRYSTAL STRUCTURES AND PRELIMINARY ANTIBACTERIAL ACTIVITIES OF NICKEL(II) AND ZINC(II) COMPLEXES DERIVED FROM 2-BROMO-6-[(3-CYCLOHEXYLAMINOPROPYLIMINO) METHYL]PHENOL
  作者：WEI LI、YI DING、XIAO-SHAN CHENG、ZHONGLU YOU

  DOI：10.4067/s0717-97072015000300012

  日期：——

  Two centrosymmetric mononuclear nickel(II) and zinc(II) complexes, [NiL2]center dot 2NO(3) (1) and [ZnL2(dca)(2)] (2), where L is the zwitterionic form of 2-bromo-6-[(3-cyclohexylaminopropylimino)methyl] phenol, and dca is the dicyanamide anion, have been synthesized. The complexes have been characterized by physicochemical methods and single crystal X-ray determination. Complex (1) crystallizes in the monoclinic space group P2(1)/n with unit cell dimensions a = 7.0091(7) angstrom, b = 11.137(1) angstrom, c = 23.997(2) angstrom, beta = 97.390(3)degrees, V = 1857.7(3) angstrom(3), Z = 2, R-1 = 0.0617, and wR(2) = 0.1632. Complex (2) crystallizes in the triclinic space group P-1 with unit cell dimensions a = 8.762(1) angstrom, b = 10.386(1) angstrom, c = 10.687(2) angstrom, alpha = 85.209(2)degrees, beta = 83.931(2)degrees, g = 88.734(2)degrees, V = 963.6(2) angstrom(3), Z = 1, R-1 = 0.0374, and wR(2) = 0.0873. The Ni atom in (1) is in a square planar geometry, and the Zn atom in (2) is in an octahedral geometry. The preliminary antibacterial activities of the complexes were assayed.
• Solvolthermal synthesis, structure, and properties of a novel dinuclear zinc(II) complex
  作者：N. Wang、X. Y. Qiu

  DOI：10.1134/s1070328415060093

  日期：2015.6

  A novel centrosymmetric dinuclear zinc(II) complex, [Zn2L2], was prepared from 2-bromo-6-[(3-cyclohexylaminopropylimino)methyl]phenol (H2L), 3,5-dichlorosalicylaldehyde, and zinc acetate under solvolthermal conditions. There occurs a rarely-seen 1,3-hydride shift reaction during the process. Structure of [Zn2L2] has been characterized by elemental analysis, IR spectra, and single crystal X-ray diffraction (CIF file CCDC no. 956057). The Zna <-Zn separation is 3.163(1)A degrees. Each Zn atom in the complex is in a trigonal-bipyramidal coordination. Thermal stability and fluorescence property of [Zn2L2] were studied. The complex displays intraligand pi-pi* fluorescence and can potentially serve as photoactive material.
• Synthesis, Characterization, and Antibacterial Activity of Nickel(II) Complexes With Schiff Bases
  作者：Yan Xiong

  DOI：10.1080/15533174.2012.751609

  日期：2013.9.14

  Two new Schiff base ligands, 2-bromo-6-[(3-cyclohexylami nopropylimino)methyl]phenol (L-1) and 2-bromo-6-[(2-ethylami noethylimino)methyl]phenol (L-2), and their mononuclear nickel (II) complexes, 2[Ni(L-1)(2)(N-3)(2)]center dot EtOH center dot H2O (1) and [Ni(L-2)(2)(NCS)(2)] (2), have been prepared and characterized on the basis of elemental analyses, IR spectra, and single-crystal X-ray diffraction. The complexes are mononuclear. The preliminary biological tests show that the complexes have effective antibacterial activity. Supplemental materials are available for this article. Go to the publisher's online edition of Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry to view the supplemental file.