Voici les éléments 1 - 10 sur 17
  • Publication
    Métadonnées seulement
    2,2'-(Propane-2,2-diyl)bis(1H-pyrrole)
    2,2'-(Propane-2,2-diyl)bis(1H-pyrrole), C11H14N2, crystd. with 2 independent mols. (A and B) in the asym. unit. The 2 mols. differ only slightly, with the pyrrole rings being inclined to 1 another at a dihedral angle of 87.67(8)° in mol. A and 88.09(7)° in mol. B. In the crystal, there are no classical H bonds, but the 2 pyrrole NH groups of 1 mol. are involved in N-H···? interactions with the pyrrole rings of the other mol. In this manner, a compact box-like arrangement of the 2 independent mols. is formed. Crystallog. data are given. [on SciFinder(R)]
  • Publication
    Métadonnées seulement
    2-[2-(Pyrrolidin-2-yl)propan-2-yl]-1H-pyrrole and its amide derivative 1-{2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl}ethanone
    In the title compds., C11H18N2, (II), and C13H20N2O, (III), the pyrrolidine rings have twist conformations. Compd. (II) crystallizes with two independent mols. (A and B) in the asym. unit. The mean planes of the pyrrole and pyrrolidine rings are inclined to one another by 89.99 (11) and 89.35 (10)° in mols. A and B, resp. In (III), the amide deriv. of (II), the same dihedral angle is much smaller, at only 13.42 (10)°. In the crystal structure of (II), the individual mols. are linked via N-H···N hydrogen bonds to form inversion dimers, each with an R22(12) graph-set motif. In the crystal structure of (III), the mols. are linked via N-H···O hydrogen bonds to form inversion dimers with an R22(16) graph-set motif. [on SciFinder(R)]
  • Publication
    Accès libre
    Synthesis of Calix[4]pyrrolidine, Calix[m]tetrahydrofuran[n]pyrrolidine (m+n=4) and similar macrocyclic systems - elucidation of the hydrogenation sequence and factors influencing the stereoselectivity
    The first meso-octaalkylporphyrinogen (calix[4]pyrrole) was synthesized by Baeyer more than 120 years ago, mixing pyrrole and acetone in the presence of an acid. We have performed a thorough study of the catalytic hydrogenation of calix[4]pyrrole 1, by using common as well as novel heterogeneous catalysts based on transition metals (Pd, Rh, Ru) supported on solid matrices. Another investigation concerning the hydrogenation reaction was performed using twelve different macrocyclic substrates. Different factors were tested, which might influence the stereoselectivity during the hydrogenation process and therefore the number of diastereomers obtained. One of the macrocycles synthesized, offers interesting perspectives for the development of novel catalysts. In this context, we investigated the reactivity and the modification of this macrocycle. A thorough study of the nucleophilic properties and a kinetic study allow the discovery the factors that influence the reactivity of these macrocycles.
  • Publication
    Métadonnées seulement
    The hydrogenation of heterocyclic calix[4]arenes, a transformation leading to novel macrocyclic ligands
    (2012) ;
    Jones, Christopher R.
    ;
    Blangy, Valeria
    ;
    A review. Hydrogenation reactions of calix[4]furan and calix[4]pyrrole were reviewed together with the authors' own work in this field. A short description of the metal binding process of our new calix[4]pyrrolidines (= the fully satd. calix[4]pyrrole) with Cu was discussed as a typical example of the metal binding capacities. The new calix[4]pyrrolidines can be structurally classified as new stiffened macrocyclic crown ethers or as satd. analogs of the porphyrin-derived "pigments of life". [on SciFinder(R)]
  • Publication
    Métadonnées seulement
    4-Chloro-benzoyl-meso-octa-methyl-calix[2]pyrrolidino[2]pyrrole: an acyl chloride derivative of a partially reduced calix[4] pyrrole
    In the title compound, C(35)H(47)ClN(4)O, the two pyrrolidine rings have envelope conformations. The conformation of the macrocycle is stabilized by N-H(midline ellipsis)N hydrogen bonds and a C-H(midline ellipsis)N inter-action. The benzoyl ring is inclined to the adjacent pyrrole ring by 11.66 (11)°, with a centroid-centroid distance of 3.7488 (13) Å. In the crystal, molecules are linked by N-H(midline ellipsis)O hydrogen bonds into helical chains propagating in [010] and C-H(midline ellipsis)O and C-H(midline ellipsis)? interactions are also observed.
  • Publication
    Métadonnées seulement
    2,2'-[(2S*,6R*)-Piperidine-2,6-diyl]dipropan-2-ol
    In the title compd., C11H23NO2, the piperidine ring has a chair conformation. The two hydroxy H atoms are disordered over two positions with fixed occupancy ratios of 0.57:0.43 and 0.63:0.37. In the mol., there are two short N-H···O interactions. In the crystal, four symmetry-related mols. are linked by O-H···O H bonds to form a cage-like arrangement, centered about the point of intersection of three 2-fold axes. These cages stack along the [100] direction. Crystallog. data and at. coordinates are given. [on SciFinder(R)]
  • Publication
    Métadonnées seulement
    4,4-Bis(1H-pyrrol-2-yl)penta-nol
    The title achiral compound, C(13)H(18)N(2)O, crystallized in the chiral monoclinic space group P2(1). The pyrrole rings are inclined to one another by 62.30 (11)°, and the propanol chain is in an extended conformation. In the crystal, the two pyrrole NH groups are involved in inter-molecular N-H(midline ellipsis)O hydrogen bonds, leading to the formation of a helical arrangement propagating along the b axis. An inter-esting feature of the crystal structure is the absence of any conventional hydrogen bonds involving the hydr-oxy H atom. There is, however, a weak inter-molecular O-H(midline ellipsis)? inter-action involving one of the pyrrole rings.
  • Publication
    Métadonnées seulement
    4,4-Bis(1H-pyrrol-2-yl)pentanol
    The achiral 4,4-bis(1H-pyrrol-2-yl)pentanol, C13H18N2O, crystd. in the chiral monoclinic space group P21. The pyrrole rings are inclined to 1 another by 62.30(11)°, and the PrOH chain is in an extended conformation. In the crystal, the 2 pyrrole NH groups are involved in intermol. N-H···O H bonds, giving a helical arrangement propagating along the b axis. An interesting feature of the crystal structure is the absence of any conventional H bonds involving the hydroxy H atom. There is a weak intermol. O-H···? interaction involving 1 of the pyrrole rings. Crystallog. data are given. [on SciFinder(R)]
  • Publication
    Métadonnées seulement
    4-Meth-oxy-benzoyl-meso-octa-methyl-calix[2]pyrrolidino[2]pyrrole: an acyl chloride derivative of a partially reduced calix[4]pyrrole
    In the title compound, C(36)H(50)N(4)O(2), the two pyrrolidine rings have envelope conformations. The conformation of the macrocycle is stabilized by N-H(midline ellipsis)N hydrogen bonds and a C-H(midline ellipsis)N inter-action. The benzoyl ring is inclined to an adjacent pyrrole ring by 6.76 (9)°, with a centroid-to-centroid distance of 3.6285 (10) Å. In the crystal, apart from a C-H(midline ellipsis)O and a C-H(midline ellipsis)? inter-action, mol-ecules are linked via an N-H(midline ellipsis)O hydrogen bond, leading to the formation of helical chains propagating along [010].
  • Publication
    Métadonnées seulement
    Synthesis of α,β'- and β,β'-linked dimethoxycarbonyldipyrromethanes by Rothemund-type condensation
    The Rothemund-type condensation of methoxycarbonylpyrrole with acetone produces mainly the α,β'-linked dipyrromethane, a building block for the synthesis of N-confused macrocycles. The influence of the reaction conditions on the regioselectivity of the process is reported. The x-ray structures of the α,α'-, α,β'- and β,β'-linked dipyrromethanes show an interesting discrimination of the structurally different types of hydrogen bonds. [on SciFinder(R)]