Citation:
ZHU Xi-Feng, GUO Yan-Chun, YU Zhi-Ran, LIAO Xin-Cheng, ZHAO Yu-Fen. Syntheses and Crystal Structures of Two New α-Aminophosphonate Derivatives Containing Thieno[2,3-d]pyrimidine[J]. Chinese Journal of Structural Chemistry,
2015, 34(6): 879-884.
doi:
10.14102/j.cnki.0254-5861.2011-0630
Syntheses and Crystal Structures of Two New α-Aminophosphonate Derivatives Containing Thieno[2,3-d]pyrimidine
摘要:
Two new α-aminophosphonate derivatives containing thieno[2,3-d]pyrimidine, diethyl(((6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)amino)(4-methoxyphenyl)methyl) phosphonate (1 and diethyl((4-bromophenyl)((6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3 (4H)-yl)amino)methyl)phosphonate (2), have been synthesized by a facial phosphorylated reaction, and their structures were characterized by NMR, IR, HRMS and X-ray single-crystal diffraction. Compound 1 (C21H28N3O5PS, Mr=465.49) belongs to the orthorhombic system, space group P212121, with a=10.83653(16), b=12.04906(19), c=18.0061(3) Å, V=2351.06(6) Å3, Z=4, Dc=1.315 g/cm3, μ=2.177 mm-1, F(000)=984.0, the final R=0.0389 and wR=0.0985 for all data. Compound 2 (C20H25BrN3O4PS, Mr=514.37) belongs to the orthorhombic system, space group P212121, with a=10.9187(5), b=11.9522(4), c=17.7667(7) Å, V=2318.60(16) Å3, Z=4, Dc=1.474 g/cm3, μ=4.175 mm-1, F(000)=1056.0, the final R=0.0367 and wR=0.0946 for all data.
English
Syntheses and Crystal Structures of Two New α-Aminophosphonate Derivatives Containing Thieno[2,3-d]pyrimidine
Abstract:
Two new α-aminophosphonate derivatives containing thieno[2,3-d]pyrimidine, diethyl(((6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)amino)(4-methoxyphenyl)methyl) phosphonate (1 and diethyl((4-bromophenyl)((6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3 (4H)-yl)amino)methyl)phosphonate (2), have been synthesized by a facial phosphorylated reaction, and their structures were characterized by NMR, IR, HRMS and X-ray single-crystal diffraction. Compound 1 (C21H28N3O5PS, Mr=465.49) belongs to the orthorhombic system, space group P212121, with a=10.83653(16), b=12.04906(19), c=18.0061(3) Å, V=2351.06(6) Å3, Z=4, Dc=1.315 g/cm3, μ=2.177 mm-1, F(000)=984.0, the final R=0.0389 and wR=0.0985 for all data. Compound 2 (C20H25BrN3O4PS, Mr=514.37) belongs to the orthorhombic system, space group P212121, with a=10.9187(5), b=11.9522(4), c=17.7667(7) Å, V=2318.60(16) Å3, Z=4, Dc=1.474 g/cm3, μ=4.175 mm-1, F(000)=1056.0, the final R=0.0367 and wR=0.0946 for all data.
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Key words:
- thieno[2,3-d]pyrimidine
- / α-aminophosphonate derivatives
- / synthesis
- / crystal structure
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