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Volumn 73, Issue 19, 2008, Pages 7764-7767

1,3-Diaxially substituted trans-decalins: Potential nonsteroidal human progesterone receptor inhibitors

Author keywords

[No Author keywords available]

Indexed keywords

ARSENIC COMPOUNDS; CHEMICAL REACTIONS;

EID: 53049091621     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo800947m     Document Type: Article
Times cited : (18)

References (31)
  • 7
    • 53049085892 scopus 로고    scopus 로고
    • The LUMO energies of the α- and β-epoxides were determined by Spartan (v60, Wavefunction Inc; Irvine, CA; Hartree Fock/6-31G** basis set) as 0.10199 and 0.10452 hartree, respectively. A LUMO-HOMO energy gap between the Orbitals of the epoxide isomers and the HOMO orbital of the nucleophile (benzenethiol) was calculated and shown to favor the α-epoxide by 1.59 kcal/ M.
    • The LUMO energies of the α- and β-epoxides were determined by Spartan (v60, Wavefunction Inc; Irvine, CA; Hartree Fock/6-31G** basis set) as 0.10199 and 0.10452 hartree, respectively. A LUMO-HOMO energy gap between the Orbitals of the epoxide isomers and the HOMO orbital of the nucleophile (benzenethiol) was calculated and shown to favor the α-epoxide by 1.59 kcal/ M.
  • 9
    • 33746916416 scopus 로고    scopus 로고
    • The bulkier β-ketoester group occupies the less congested convex face, while the methyl group occupies the concave face. For a similar result, see
    • The bulkier β-ketoester group occupies the less congested convex face, while the methyl group occupies the concave face. For a similar result, see: Fairweather, K. A.; Mander, L. N. Org. Lett. 2006, 8, 3395-3398.
    • (2006) Org. Lett , vol.8 , pp. 3395-3398
    • Fairweather, K.A.1    Mander, L.N.2
  • 26
    • 53049088506 scopus 로고    scopus 로고
    • WO 9603395: Bouchard, H, Bourzat, J.-D, Commercon, A. Chem. Abstr. 1996, 125, 11177
    • Rhone-Poulenc Rorer S.A., Fr., WO 9603395: Bouchard, H.; Bourzat, J.-D.; Commercon, A. Chem. Abstr. 1996, 125, 11177.
    • Rhone-Poulenc Rorer, S.A.1    Fr2
  • 31
    • 53049100821 scopus 로고    scopus 로고
    • The supplementary crystallographic data can be obtained free of charge from The Cambridge Crystallographic Data Centre, ref. no. CCDC 678950, via
    • The supplementary crystallographic data can be obtained free of charge from The Cambridge Crystallographic Data Centre, ref. no. CCDC 678950, via www.ccdc.cam.ac.uk/data_request/cif.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.