INVERSE ELECTRON DEMAND DIELS-ALDER REACTIONS OF 3,6-BIS(METHYLTHIO)-1,2,4,5-TETRAZINE - 1,2-DIAZINE INTRODUCTION AND DIRECT IMPLEMENTATION OF A DIVERGENT 1,2,4,5-TETRAZINE-]1,2-DIAZINE-]BENZENE (INDOLINE INDOLE) DIELS-ALDER STRATEGY
INVERSE ELECTRON DEMAND DIELS-ALDER REACTIONS OF 3,6-BIS(METHYLTHIO)-1,2,4,5-TETRAZINE - 1,2-DIAZINE INTRODUCTION AND DIRECT IMPLEMENTATION OF A DIVERGENT 1,2,4,5-TETRAZINE-]1,2-DIAZINE-]BENZENE (INDOLINE INDOLE) DIELS-ALDER STRATEGY
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DOI：
10.1021/jo00242a014
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发表时间：
1988-04-01
影响因子：
3.6
通讯作者：
SAKYA, SM
中科院分区：
文献类型：
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作者：
BOGER, DL;SAKYA, SM
CH3（CH2）3CH（OH）（XH，7383-19-9; CH3（CH2）3C（0）OCH，26119-02-8; HOCH2CH2C= CH，927-74-2; t-BuSi（Me）20-（CH2）2C= CH，78592-82-2; HOCH2（CH2）2C= CH，5390-04-5; t-BuSi（Me）2OCH2OCEt，112373-26-9; HOCH 2C = CEt，6261-22-9; PhCH 2 O（CH 2）2（XH，22273-77-4; HO（CH 2）3CH= CH 2，821-09-0; 2-甲基-3-戊基吡咯，18320-91-7;吡咯，109-97-7; 5-（乙氧基羰基）-2-甲基-3-戊酰基吡咯，92198-32-8。可用的补充材料：INDO和AMPAC、AMI、灵菌红素和2-甲基-3-戊基灵菌红素治疗的汇总表和汇总图（2页）。订购信息在任何当前的刊头页面上提供。优化的MM 2（MacroModel，1.1版）线性、非线性（E/Z）-1、-2a和-2e的几何构型和总能量（4页），以及最终结果（键长、键角、笛卡尔坐标、原子间距离、本征向量、原子净电荷和偶极贡献、原子轨道电子布居、状态能量和CI），可根据要求从DLB获得灵菌红素（1）和2-甲基-3-戊基灵菌红素（2 e）的AMI（版本1.0）优化/SCF计算。
CH3 (CH2) 3CH (OH)(XH, 7383-19-9; CH3 (CH2) 3C (0) OCH, 26119-02-8; HOCH2CH2C= CH, 927-74-2; f-BuSi (Me) 20-(CH2) 2C= CH, 78592-82-2; HOCH2 (CH2) 2C= CH, 5390-04-5; t-BuSi (Me) 2OCH2OCEt, 112373-26-9; HOCH2C= CEt, 6261-22-9; PhCH20 (CH2) 2 (XH, 22273-77-4; HO (CH2) 3CH= CH2, 821-09-0; 2-methyl-3-pentylpyrrole, 18320-91-7; pyrrole, 109-97-7; 5-(eth-oxycarbonyl)-2-methyl-3-valeroylpyrrole, 92198-32-8. Supplementary Material Available: Summary Table and summary figure of the INDO and AMPAC, AMI, treatment of prodigiosin and 2-methyl-3-pentylprodigiosene (2 pages). Ordering information is given on any current masthead page. Optimized MM2 (MacroModel, version 1.1) geometries and total energy for linear, nonlinear (E/Z)-1,-2a, and-2e (4 pages), andthe final results (bond lengths, bond angles, cartesian coordinates, inter-atomic distances, eigenvectors, net atomic charges anddipole contributions, atomic orbital electron populations, state energies, and CI) of the AMPAC, AMI (version 1.0) optimization/SCF calculation for prodigiosin (1) and 2-methyl-3-pentylprodigiosene (2e) are available from DLB upon request.