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Volumn 303, Issue C, 1994, Pages 177-183

Rates of hydrolysis of N-acetylazoles: semiempirical calculations compared to experimental values

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Indexed keywords


EID: 0041434860     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/0166-1280(94)80184-3     Document Type: Article
Times cited : (53)

References (35)
  • 12
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    • B. Jursic, unpublished results, 1993.
  • 13
    • 85034956876 scopus 로고
    • Role of Protic and Dipolar Aprotic Solvents in Heterocyclic Syntheses via 1,3-Dipolar Cycloaddition Reactions
    • Substituted 5-phenyltetrazoles were synthesized from the corresponding benzonitrile, sodium azide, and ammonium chloride in dimethylformamide by following the similar procedures for the preparation of the tetrazoles
    • (1973) Synthesis , pp. 71
    • Kadaba1
  • 15
    • 84912964857 scopus 로고    scopus 로고
    • All rates of hydrolysis of N-acetylazoles were obtained from the literature, see Ref. 2.
  • 17
    • 84913014790 scopus 로고    scopus 로고
    • ChemX is available from Chemical Design Inc., Mahwah, NJ.
  • 18
    • 84912980506 scopus 로고    scopus 로고
    • HyperChem is available from Autodesk Inc., Sausalito, CA.
  • 21
    • 85007950754 scopus 로고
    • Perfluoroalkanesulfonic Esters: Methods of Preparation and Applications in Organic Chemistry
    • For influence of nature of leading groups in solvolysis see
    • (1982) Synthesis , pp. 85
    • Stang1    Hanack2    Subramanian3
  • 33
    • 84912976125 scopus 로고    scopus 로고
    • Conformational analyses were necessary or otherwise unrealistically high transition state energies were observed which are not in agreement with experimental results discussed.
  • 34
    • 84912968936 scopus 로고
    • coordinating author, Second Edn., MacMillan, New York, Chapter 9
    • (1988) Biochemistry , pp. 284-321
    • Zubay1
  • 35
    • 84912984006 scopus 로고    scopus 로고
    • We abandoned this approach because the increase in precision of the rate constant calculation was negligible in comparison to the time necessary for location of the transition state. With tetrazole this is an even much stronger argument because there are three “free” nitrogen atoms for hydrogen bonding, and refining the transition state used an enormous amount of computer time.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.