Domino Reaction of 3-(2-Formylphenoxy)propenoates and Amines: A Novel Synthesis of 1,4-Dihydropyridines from Salicaldehydes, Ethyl Propiolate, and Amines
Sun-Liang Cui; Jun Wang; Xu-Feng Lin; Yan-Guang Wang; Journal of Organic Chemistry 72 (2007) 7779–7782; doi:10.1021/jo7013593

data_4024204
_publ_section_title
;
 Domino Reaction of 3-(2-Formylphenoxy)propenoates and Amines:
 A Novel Synthesis of 1,4-Dihydropyridines from Salicaldehydes,
 Ethyl Propiolate, and Amines
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7779
_journal_page_last               7782
_journal_paper_doi               10.1021/jo7013593
_journal_volume                  72
_journal_year                    2007
_chemical_formula_moiety         'C28 H29 N O7 '
_chemical_formula_sum            'C28 H29 N O7'
_chemical_formula_weight         491.54
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2006-02-21
_audit_creation_method           'by CrystalStructure 3.7.0'
_cell_angle_alpha                101.089(18)
_cell_angle_beta                 106.943(16)
_cell_angle_gamma                104.443(15)
_cell_formula_units_Z            2
_cell_length_a                   8.820(3)
_cell_length_b                   11.774(5)
_cell_length_c                   13.600(7)
_cell_measurement_reflns_used    9890
_cell_measurement_temperature    298(1)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_cell_volume                     1253.7(10)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12480
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.094
_exptl_absorpt_correction_T_max  0.988
_exptl_absorpt_correction_T_min  0.968
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.302
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             520.00
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.55
_refine_diff_density_min         -0.53
_refine_ls_extinction_coef       162(28)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     326
_refine_ls_number_reflns         5704
_refine_ls_R_factor_gt           0.0505
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 1.8600\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1375
_reflns_number_gt                3870
_reflns_number_total             5704
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo7013593-File001.cif
_cod_data_source_block           '_CS0108'
_cod_original_formula_sum        'C28 H29 N O7 '
_cod_database_code               4024204