N1-乙酰基-N3-邻甲苯甲酰基-5-氟脲嘧啶的晶体和分子结构

Crystal and Molecular Structure of N1-Acetyl-N3-O-Toluyl-5-Fluorouracii

5-氟脲嘧啶(5-FU)和N_(1)(2-四氰呋喃)-5-氟脲嘧啶(FT-207.2)在肿瘤的临床实验上,引起了人们极大的兴趣和得到广泛的应用,但它们具有毒性大和对肿瘤的免疫抑制作用,因此,为提高疗效,降低毒性的5-FU衍生物的开发,引起了人们的关心,1980年Tetsuji Kametani首先合成了N_(1)一乙酰基-N_(3)-邻甲苯甲酰基-5-氟脲嘧啶(ATFU).

The crystal of the title compound belongs to monoclinic system.Space group P21/n,with dimensions.α=15.795(4),b=8.367(3),c=10.720(4)A,β=104.98(3)o,V=1368.6A3,Z=4,Dc=1,409gcm-3,μ(MoKα)=1.067cm-1,λ(MoKa)=0.71069 A.The final R/Rw=0.045/0.039 for 235 parameters and 1898 observed refledions were Treasured with an FNRAF-NONIUS CAD-4 diff-ractometer using MoKa radiation at 293K.The molecule consists of fluorouracil moiety and o-toluyl group which are virtually perpendicular to each other.The present paper deals with brief discussion of the structural features which may be responsible for its special antitumor activity for the title compound.