缩醛酯在Perkon类反应中的形成及其晶体结构
The formation of 1,1-diacetate derivative
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摘要: 摘要:通过Perkin类反应得到3个新的化合物 1,2 和3. 利用X-射线单晶衍射仪测定个化合物1和2的晶体结构.实验表明:化合物1,(E)-2-{2'-3''-(1''-乙酰基-吲哚)基乙烯}基-8-羟基喹啉乙酸酯为单斜晶系,空间群为P2(1)/c,晶胞参数为:a=2.26566(9) nm, b=2.01990(8) nm, c=0.79445(3) nm, =90, =90.715(2) , =90, V=3.6354(2) nm3, Z=8, Dc=1.353 Mg/m3, =0.091 mm-1, F(000)=1552, R1=0.0526 and wR2=0.1409.化合物2,1-(1',1'-二乙酰基)甲基苯并噻吩为斜方晶系,空间群为Pccn,晶胞参数为:a=1.70116(8) nm, b=2.00171(8) nm, c=0.76628(3) nm, =90, =90, =90, V=2.60936(19) nm3, Z=8, Dc=1.345 Mg/m3, =0.251 mm-1, F(000)=1104, R1=0.0342 and wR2=0.0985. 本文报道了这2个化合物的晶体结构.化合物1、2和3的形成表明,在这类Perkin反应中,酸的存在将导致缩醛酯的形成,从而降低了缩合产物的产率.Abstract: Abstract Three new compounds 1, 2 and 3 have been synthesized by Perkin-type condensation reaction. The crystal structures of compounds 1 and 2 were determined by X-ray single crystal diffraction. The experimental results show the following results. The compound 1, (E)-2-2'-(1''-acetyl-1H-indol-3''-yl)vinyl-quinolin-8-yl acetate, belongs to the monoclinic, space group P2(1)/c with unit cell parameters a=2.26566(9) nm, b=2.01990(8) nm, c=0.79445(3) nm, =90, =90.715(2) , =90, V=3.6354(2) nm3, Z=8, Dc=1.353 Mg/m3, =0.091 mm-1, F(000)=1552, R1=0.0526 and wR2=0.1409. The compound 2, 1,1-Diacetoxy-1-(3'-benzo bthinophene)methane, belongs to the orthorhombic, space group Pccn with with unit cell parameters a=1.70116(8) nm, b=2.00171(8) nm, c=0.76628(3) nm, =90, =90, =90, V=2.60936(19) nm3, Z=8, Dc=1.345 Mg/m3, =0.251 mm-1, F(000)=1104, R1=0.0342 and wR2=0.0985. The formation of compounds 1,2 and 3 show that the acidity in the Perkin type reaction will result in 1,1-diacetate formation and reduce the yield of condensation products.