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(1S,3S)-Methyl 2-benzyl-6,7-dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinoline-3-carboxyl-ate.

ABSTRACT: In the title compound, C(26)H(27)NO(4), the heterocyclic ring assumes a half-chair conformation and inter-molecular C-H?O inter-actions help to construct the three-dimensional network within the crystal packing.

SUBMITTER: Naicker T

PROVIDER: S-EPMC3120496 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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(1S,3S)-Methyl 2-benzyl-6,7-dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinoline-3-carboxyl-ate.

Naicker Tricia T Govender Thavendran T Kruger Hendrik G HG Maguire Glenn E M GE

Acta crystallographica. Section E, Structure reports online 20110514 Pt 6

In the title compound, C(26)H(27)NO(4), the heterocyclic ring assumes a half-chair conformation and inter-molecular C-H⋯O inter-actions help to construct the three-dimensional network within the crystal packing. ...[more]

PMID: 21754788

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(1S,3S)-Methyl 6,7-dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinoline-3-carboxyl-ate.

Project description:In the title compound, C(19)H(21)NO(4), an organocatalyst with a tetra-hydro-isoquinoline backbone, the heterocyclic ring assumes a half-boat conformation. The dihedral angle between the aromatic rings is 82.93?(8)°. In the crystal, mol-ecules are linked via N-H?O and C-H?O hydrogen bonds, forming a layer parallel to (10[Formula: see text]).

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(1R,3S)-Methyl 2-benzyl-6,7-dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinoline-3-carboxyl-ate.

Project description:In the title compound, C(26)H(27)NO(4), a precursor to novel chiral catalysts, the N-containing six-membered ring assumes a half-boat conformation. Various C-H?? interactions and intermolecular short contacts (C?H = 2.81-2.90?Å) link the mol-ecules together in the crystal structure.

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(1R,3S)-Methyl 6,7-dimeth-oxy-1-(4-meth-oxy-phen-yl)-1,2,3,4-tetra-hydro-isoquinoline-3-carboxyl-ate.

Project description:The title compound, C(20)H(23)NO(5), is the third in a series of tetra-hydoisoquinoline (TIQ) compounds that are precursors to novel chiral catalysts. The N-containing six-membered ring assumes a half-boat conformation. No hydrogen bonding is observed in the crystal structure.

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(1R,3S)-N-Benzhydryl-2-benzyl-6,7-dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinoline-3-carbothio-amide.

Project description:The title compound, C(38)H(36)N(2)O(2)S, has a heterocyclic ring that assumes a half-chair conformation. The phenyl rings of neighbouring mol-ecules align forming alternating chains parallel to [100] within the crystal packing. The absolute stereochemistry of the crystal was confirmed to be R,S at the 1- and 3-positions, respectively, by proton NMR spectroscopy. A single intra-molecular N-H?N hydrogen bond is observed.

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(S)-Benzyl 3-phenyl-carbamoyl-1,2,3,4-tetra-hydro-isoquinoline-2-carboxyl-ate.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(24)H(22)N(2)O(3). The heterocyclic ring assumes a twisted boat conformation and N-H⋯O inter-actions help to construct the three-dimensional network within the crystal packing.

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{(1R,3S)-2-Benzyl-6,7-dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinolin-3-yl}diphenyl-methanol.

Project description:In the title compound, C(37)H(35)NO(3), a precursor to novel chiral catalysts, the N-containing six-membered ring assumes a half-chair conformation. Inter-molecular C-H?O hydrogen bonds link the mol-ecules in the crystal structure.

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Methyl 1-cyclo-hexyl-6,7-dimeth-oxy-3,4-dihydro-isoquinoline-3-carboxyl-ate.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(19)H(25)NO(4). A single C-H?? inter-action and various inter-molecular contacts (2.65-2.83?Å) link the independent mol-ecules in the crystal structure. The N-containing six-membered ring assumes a twisted half-boat conformation.

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Ethyl 4-methyl-1,3-dioxo-1,2,3,4-tetra-hydro-isoquinoline-4-carboxyl-ate.

Project description:In the title compound, C(13)H(13)NO(4), the fused-ring system is nearly planar, with an r.m.s. deviation of 0.0408 Å. In the crystal, mol-ecules are linked into centrosymmetric dimers by a pair of N-H⋯O hydrogen bonds. The ethyl group is disordered over two positions in a ratio of 0.758 (6):0.242 (6).

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[(1R,3S)-6,7-Dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinolin-3-yl]methanol 2.33-hydrate.

Project description:The title compound, C(18)H(21)NO(3)·2.33H(2)O, is the fourth reported member in a series of (1R,3S)-6,7-dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinoline derivatives used in catalysis as ligands (or their precursors). The N-heterocycle in the structure adopts a half-chair conformation. The dihedral angle between the benzene rings is 77.29?(13)°. There are three ill-resolved water molecules of crystallization in the structure (one of them rotationally disordered about a threefold axis) involved in short contacts probably due to hydrogen bonding.

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2-[(1R,3S)-6,7-Dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinolin-3-yl]-4-phenyl-1,3-thia-zole.

Project description:In the title compound, C(26)H(24)N(2)O(2)S, the dihedral angle between the thia-zole ring and the adjacent phenyl ring is 3.02?(15)°. The N-containing six-membered ring of the tetra-hydro-isoquinoline unit adopts a half-chair conformation. The dihedral angle between the least-squares plane of the tetra-hydro-isoquinoline ring system and its nearest phenyl ring is 76.90?(13)°. No classical hydrogen bonds nor ?-? inter-actions were found in the crystal structure.

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