THE STO-3G AND 3-21G TRANSITION STRUCTURE OF THE DIELS-ALDER REACTION OF 1-AZA-1,3-BUTADIENE WITH ETHYLENE

被引：0
|
作者：
DAU, METH
FLAMENT, JP
LEFOUR, JM
RICHE, C
GRIERSON, DS
机构：
[1] CNRS,INST CHIM SUBST NAT,F-91198 GIF SUR YVETTE,FRANCE
[2] ECOLE POLYTECH,MECAN REACT LAB,F-91128 PALAISEAU,FRANCE
来源：
TETRAHEDRON LETTERS | 1992年 / 33卷 / 17期
关键词：
DIELS-ALDER; 1-AZABUTADIENE; TRANSITION STATE; ABINITIO; STO-3G; 3-21G;
D O I：
暂无
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
A transition structure for the Diels-Alder reaction of 1-azadiene with ethylene has been calculated at the STO-3G and 3-21G basis set levels. Comparison with the transition structure for the Diels Alder reaction of butadiene with ethylene is made.
引用
收藏
页码：2343 / 2346
页数：4
相关论文
共 50 条
  • [1] THE STO-3G TRANSITION STRUCTURE OF THE DIELS-ALDER REACTION
    BROWN, FK
    HOUK, KN
    TETRAHEDRON LETTERS, 1984, 25 (41) : 4609 - 4612
  • [2] A thorough understanding of the Diels-Alder reaction of 1,3-butadiene and ethylene
    Cui, Cheng-Xing
    Liu, Ya-Jun
    JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2014, 27 (08) : 652 - 660
  • [3] FORCE-FIELD CALCULATION OF EQUILIBRIUM THERMODYNAMIC PROPERTIES - DIELS-ALDER REACTION OF 1,3-BUTADIENE AND ETHYLENE AND DIELS-ALDER DIMERIZATION OF 1,3-BUTADIENE
    LENZ, TG
    VAUGHAN, JD
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 1990, 11 (03) : 351 - 360
  • [4] Regioselectivity of hetero Diels-Alder reactions between 1-aza-1,3-butadiene derivatives and dimethylvinylamine: A theoretical investigation
    Chemouri, Hafida
    Benchouk, Wafaa
    Mekelleche, Sidi Mohamed
    JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2006, 5 (04): : 707 - 718
  • [5] Are There Only Fold Catastrophes in the Diels-Alder Reaction Between Ethylene and 1,3-Butadiene?
    Ayarde-Henriquez, Leandro
    Guerra, Cristian
    Duque-Norena, Mario
    Rincon, Elizabeth
    Perez, Patricia
    Chamorro, Eduardo
    JOURNAL OF PHYSICAL CHEMISTRY A, 2021, 125 (23): : 5152 - 5165
  • [6] SUBSTITUTED 1-THIA-3-AZA-1,3-BUTADIENE - DIELS-ALDER REACTION WITH METHYLACRYLATE - DETERMINATION OF ACTIVATION PARAMETERS
    CHEHNA, M
    PRADERE, JP
    QUINIOU, H
    LEBOTLAN, D
    TOUPET, L
    PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, 1989, 42 (1-2): : 15 - 19
  • [7] A NOVEL INVERSE TYPE DIELS-ALDER REACTION OF ETHYL (E)-3-(1,3-BENZOTHIAZOL-2-YL)-3-CYANOPROPENOATE AS A HIGHLY REACTIVE 1-AZA-1,3-BUTADIENE
    SAMOTO, M
    NAGANO, M
    SUZUKI, Y
    TAMURA, O
    CHEMICAL & PHARMACEUTICAL BULLETIN, 1995, 43 (10) : 1824 - 1826
  • [8] Regioselective synthesis of 1,5-diazaanthraquinones via Diels-Alder reaction of 4-hydroxy-quinolinequinone with 1-aza-1,3-butadiene
    Horiguchi, Y
    Toeda, A
    Tomoda, K
    Sano, T
    HETEROCYCLES, 2000, 53 (02) : 315 - +
  • [9] AB-INITIO AND SEMIEMPIRICAL CALCULATIONS OF THE HETERO-DIELS-ALDER REACTION OF 1-AZA-1,3-BUTADIENE WITH ETHENE
    TIETZE, LF
    FENNEN, J
    GEISSLER, H
    SCHULZ, G
    ANDERS, E
    LIEBIGS ANNALEN, 1995, (09): : 1681 - 1687
  • [10] DFT study on the regio- and stereoselectivity of the organocatalytic aza-Diels-Alder reaction of crotonaldehyde and cyclic 1-aza-1,3-butadiene
    Mina Haghdadi
    Atieh Abaszadeh
    Zoleykhah Falahati
    Structural Chemistry, 2019, 30 : 1831 - 1842
12345