synthesis, molecular structure and characterization of allylic derivatives of 6-amino-3-methyl-1,2,4-triazolo[3,4-f][1,2,4]-triazin-8(7h)-one烯丙基的衍生物的合成、分子结构及进一步表征6-amino-3-methyl-1,2,4-triazolo[3、4 f][1、2、4]-triazin-8u2014u2014(7 h).pdfVIP

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synthesis, molecular structure and characterization of allylic derivatives of 6-amino-3-methyl-1,2,4-triazolo[3,4-f][1,2,4]-triazin-8(7h)-one烯丙基的衍生物的合成、分子结构及进一步表征6-amino-3-methyl-1,2,4-triazolo[3、4 f][1、2、4]-triazin-8u2014u2014(7 h).pdf

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synthesis, molecular structure and characterization of allylic derivatives of 6-amino-3-methyl-1,2,4-triazolo[3,4-f][1,2,4]-triazin-8(7h)-one烯丙基的衍生物的合成、分子结构及进一步表征6-amino-3-methyl-1,2,4-triazolo[3、4 f][1、2、4]-triazin-8u2014u2014(7 h)

Molecules 2006, 11, 444-452 molecules ISSN 1420-3049 Full Paper Synthesis, Molecular Structure and Characterization of Allylic Derivatives of 6-Amino-3-methyl-1,2,4-triazolo[3,4-f ][1,2,4]- triazin-8(7H)-one Long-Chih Hwang 1,*, Shin-Yi Jane 1, Hsing-Yi Lai 1, Chun-Hsien Tu 2,† and Gene-Hsiang Lee 3,† 1 Faculty of Medicinal and Applied Chemistry, Kaohsiung Medical University, Kaohsiung City 80708, Taiwan, ROC 2 Department of Psychiatry, Longcyuan Veterans Hospital, Pingtung 912, Taiwan, ROC 3 Instrumentation Center, College of Science, National Taiwan University, Taipei City 106, Taiwan, ROC † E-mails: aromatu@.tw; ghlee@.tw * Author to whom correspondence should be addressed; e-mail: lnchhw@.tw Received: 31 May 2006; in revised form: 17 June 2006 / Accepted: 19 June 2006 / Published: 22 June 2006 Abstract: 1-Allyl- (2) and 7-allyl-6-amino-3-methyl-1,2,4-triazolo[3,4-f ][1,2,4]triazin- 8(7H)-one (3) were obtained via the 18-crown-6-ether catalyzed room temperature reaction of 6-amino-3-methyl-1,2,4-triazolo[3,4-f ][1,2,4]triazin-8(7H)-one (1) with potassium carbonate and allyl bromide in dry acetone. The structures of these two derivatives were verified by 2D-NMR measurements, including gHSQC and gHMBC measurements. The minor compound 2 may possess aromatic character. A single crystal X-ray diffraction experiment indicated that the major compound 3 crystallizes from dimethyl sulfoxide in the monoclinic space group P2 /n and its molecular structure includes an attached dimethyl