1-<2,5-bis(O-tert-butyldimethylsilyl)-β-D-erythro-pentofuran-3-ulosyl>thymine | 117174-33-1

分子结构分类

有机化合物 - 有机杂环化合物 - 二嗪类

中文名称

——

中文别名

——

英文名称

1-<2,5-bis(O-tert-butyldimethylsilyl)-β-D-erythro-pentofuran-3-ulosyl>thymine

英文别名

1-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-<2,5-bis(O-tert-butyldimethylsilyl)-β-D-erythro-pentofuran-3-ulosyl>thymine化学式

CAS

117174-33-1

化学式

C₂₂H₄₀N₂O₆Si₂

mdl

——

分子量

484.74

InChiKey

IZBZAKTZCDFQLO-SZVBFZGTSA-N

BEILSTEIN

——

EINECS

——

物化性质

密度：

1.09±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

3.72
重原子数：

32
可旋转键数：

8
环数：

2.0
sp3杂化的碳原子比例：

0.77
拓扑面积：

94.2
氢给体数：

1
氢受体数：

6

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	1-[2',5'-bis-O-(tert-butyldimethylsilyl)-β-D-ribofuranosyl]thymine	117174-32-0	C₂₂H₄₂N₂O₆Si₂	486.756
5-甲基尿甙	5-Methyluridine	1463-10-1	C₁₀H₁₄N₂O₆	258.231

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	1-(2',5'-di-O-(t-butyldimethylsilyl)-3'-C-cyano-3'-deoxy-β-D-ribo-pentofuranosyl)thymine	118242-39-0	C₂₃H₄₁N₃O₅Si₂	495.767
——	1-(2',5'-di-O-(t-butyldimethylsilyl)-3'-C-cyano-3'-deoxy-β-D-xylo-pentoifuranosyl)thymine	117174-34-2	C₂₃H₄₁N₃O₅Si₂	495.767
——	1-<2,5-Di-O-(tert-butyldimethylsilyl)-3-C-ethynyl-β-D-xylo-pentofuranosyl>thymine	133634-72-7	C₂₄H₄₂N₂O₆Si₂	510.778
——	1-<2-O-(tert-Butyldimethylsilyl)-3-C-ethynyl-β-D-xylo-pentofuranosyl>thymine	133634-73-8	C₁₈H₂₈N₂O₆Si	396.516
——	1-<2-O-(tert-Butyldimethylsilyl)-3-C-ethynyl-β-D-ribo-pentofuranosyl>thymine	133634-75-0	C₁₈H₂₈N₂O₆Si	396.516
——	2',5'-bis-O-(tert-butyldimethylsilyl)-3'-deoxy-3'-dehydro-3'-(E)-(N-methyloximino)-5-methyluridine	153842-95-6	C₂₃H₄₃N₃O₆Si₂	513.782
——	1-(2',5'-bis-O-tert-butyldimethylsilyl-3'-C-acetonyl-β-D-xylofuranosyl)thymine	1327159-28-3	C₂₅H₄₆N₂O₇Si₂	542.82
——	(2R,3S,4R,5R)-4-(tert-Butyl-dimethyl-silanyloxy)-2-(tert-butyl-dimethyl-silanyloxymethyl)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-carbonitrile	117174-41-1	C₂₃H₄₁N₃O₆Si₂	511.766
——	(2R,3R,4R,5R)-4-(tert-Butyl-dimethyl-silanyloxy)-2-(tert-butyl-dimethyl-silanyloxymethyl)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-carbonitrile	117174-40-0	C₂₃H₄₁N₃O₆Si₂	511.766
——	(2R,3S,4R,5R)-4-(tert-Butyl-dimethyl-silanyloxy)-2-(tert-butyl-dimethyl-silanyloxymethyl)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-carbonitrile	117174-40-0	C₂₃H₄₁N₃O₆Si₂	511.766
——	1-(5'-O-(t-butyldimethylsilyl)-3'-C-cyano-3'-deoxy-β-D-xylo-pentofuranosyl)thymine	117174-36-4	C₁₇H₂₇N₃O₅Si	381.504
——	1-(2'-O-(t-butyldimethylsilyl)-3'-C-cyano-3'-deoxy-β-D-ribo-pentofuranosyl)thymine	118226-04-3	C₁₇H₂₇N₃O₅Si	381.504
——	(3''-R)-1-[2',5'-bis(O-tert-butyldimethylsilyl)-3'-deoxy-β-D-xylofuranosyl]thymine-3'-spiro-2''-(3''-methoxycarbonyloxirane)	272780-79-7	C₂₅H₄₄N₂O₈Si₂	556.804
——	1-<2',5'-bis-O-(tert-butyldimethylsilyl)-3'-C-cyano-3'-O-mesyl-β-D-ribofuranosyl>thymine	141684-44-8	C₂₄H₄₃N₃O₈SSi₂	589.858
——	1-<2',5'-bis-O-(tert-butyldimethylsilyl)-3'-C-cyano-3'-O-mesyl-β-D-xylofuranosyl>thymine	141684-43-7	C₂₄H₄₃N₃O₈SSi₂	589.858
——	tert-butyl 3-((2R,3R,4S,5R)-3-((tert-butyldimethylsilyl)oxy)-5-(((tert-butyldimethylsilyl)oxy)methyl)-4-hydroxy-4-((S)-2-hydroxypropyl)tetrahydrofuran-2-yl)-5-methyl-2,6-dioxo-3,6-dihydropyrimidine-1(2H)-carboxylate	1327159-57-8	C₃₀H₅₆N₂O₉Si₂	644.954
——	tert-butyl 3-((2R,3R,4S,5R)-3-((tert-butyldimethylsilyl)oxy)-5-(((tert-butyldimethylsilyl)oxy)methyl)-4-hydroxy-4-((R)-2-hydroxypropyl)tetrahydrofuran-2-yl)-5-methyl-2,6-dioxo-3,6-dihydropyrimidine-1(2H)-carboxylate	1327159-58-9	C₃₀H₅₆N₂O₉Si₂	644.954
——	1-(2',5'-bis-O-tert-butyldimethylsilyl-3'-C-acetonyl-β-D-xylofuranosyl)-3-N-(tert-butoxycarbonyl)thymine	1327159-56-7	C₃₀H₅₄N₂O₉Si₂	642.938
——	1-(2',5'-di-O-(t-butyldimethylsilyl)-3'-C-cyano-3'-O-(phenyloxythiocarbonyl)-β-D-pentofuranosyl)thymine	118222-05-2	C₃₀H₄₅N₃O₇SSi₂	647.94
——	O-((2R,3R,4S,5S)-5-(((tert-butyldimethylsilyl)oxy)methyl)-4-cyano-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl) O-phenyl carbonothioate	118222-09-6	C₂₄H₃₁N₃O₆SSi	517.678
——	1-[(2',5'-bis-O-tert-butyldimethylsilyl-β-D-xylofuranosyl)-3-N-tert-butoxycarbonylthymine]-3'-spiro-6''-(4''-(R)-methyl-1'',3'',2''-dioxathiane-2'',2''-dioxide)	1327159-59-0	C₃₀H₅₄N₂O₁₁SSi₂	707.003
——	1-(3'-C-cyano-3'-deoxy-β-D-xylo-pentofuranosyl)thymine	117174-35-3	C₁₁H₁₃N₃O₅	267.241
1-[(5R,6R,7R,9R)-4-氨基-6-(叔丁基-二甲基硅烷基)氧基-9-[(叔丁基-二甲基硅烷基)氧基甲基]-2,2-二氧代-1,8-二氧杂-2-硫杂螺[4.4]壬-3-烯-7-基]-5-甲基嘧啶-2,4-二酮	2',5'-bis-O-(tert-butyldimethylsilyl)-3'-spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide)pyrimidine	141781-17-1	C₂₄H₄₃N₃O₈SSi₂	589.858
——	<1-<2',5'-bis-O-(tert-butyldimethylsilyl)-β-D-xylofuranosyl>thymine>-3'-spiro-5''-<4''-amino-1'',2''-oxathiole 2'',2''-dioxide>	141684-45-9	C₂₄H₄₃N₃O₈SSi₂	589.858
——	<1-<2'-O-(tert-butyldimethylsilyl)-β-D-ribofuranosyl>thymine>-3'-spiro-5''-<4''-amino-1'',2''-oxathiole 2'',2''-dioxide>	141684-47-1	C₁₈H₂₉N₃O₈SSi	475.595
——	1-(3-C-Ethynyl-β-D-xylo-pentofuranosyl)thymine	133634-74-9	C₁₂H₁₄N₂O₆	282.253
——	1-<3'-C-cyano-2',3'-dideoxy-5'-O-(t-butyldimethylsilyl)-β-D-threo-pentofuranosyl> thymine	117174-37-5	C₁₇H₂₇N₃O₄Si	365.505
——	5'-O-(t-butyldimethylsilyl)-3'-C-cyano-3'-deoxythymidine	117174-39-7	C₁₇H₂₇N₃O₄Si	365.505
——	<1-<5'-O-(tert-butyldimethylsilyl)-β-D-ribofuranosyl>thymine>-3'-spiro-5''-<4''-amino-1'',2''-oxathiole 2'',2''-dioxide>	141684-48-2	C₁₈H₂₉N₃O₈SSi	475.595
——	1-(3,5-Cyclohexylidene-3-C-ethynyl-β-D-xylo-pentofuranosyl)thymine	133634-76-1	C₁₈H₂₂N₂O₆	362.382
——	1-(2-O-Acetyl-3,5-cyclohexylidene-3-C-ethynyl-β-D-xylo-pentofuranosyl)thymine	133634-77-2	C₂₀H₂₄N₂O₇	404.42
——	<1-(β-D-ribofuranosyl)thymine>-3'-spiro-5''-<4''-amino-1'',2''-oxathiole 2'',2''-dioxide>	141781-18-2	C₁₂H₁₅N₃O₈S	361.332
——	<1-(β-D-xylofuranosyl)thymine>-3'-spiro-5''-<4''-amino-1'',2''-oxathiole 2'',2''-dioxide>	141684-46-0	C₁₂H₁₅N₃O₈S	361.332
——	<1-<5'-O-(tert-butyldimethylsilyl)-2'-deoxy-β-D-erythro-pentofuranosyl>thymine>-3'-spiro-5''-<4''-amino-1'',2''-oxathiole 2'',2''-dioxide>	141684-49-3	C₁₈H₂₉N₃O₇SSi	459.596
(2S,3R,5R)-2-(羟基甲基)-5-(5-甲基-2,4-二氧代嘧啶-1-基)四氢呋喃-3-甲腈	3'-cyano-3'-deoxythymidine	116195-58-5	C₁₁H₁₃N₃O₄	251.242
——	1-(3'-C-cyano-2',3'-dideoxy-β-D-threo-pentofuranosyl) thymine	117174-38-6	C₁₁H₁₃N₃O₄	251.242
——	5'-O-(t-butyldimethylsilyl)-3'-C-cyano-3'-deoxy-2',3'-didehydro-thymidine	118222-07-4	C₁₇H₂₅N₃O₄Si	363.489
——	1-(2',3'-dideoxy-3'-C-cyano-β-D-glyceropento-2'-enofuranosyl)thymine	118222-08-5	C₁₁H₁₁N₃O₄	249.226

反应信息

作为反应物：

描述：

1-<2,5-bis(O-tert-butyldimethylsilyl)-β-D-erythro-pentofuran-3-ulosyl>thymine 在吡啶、四丁基氟化铵、碳酸氢钠、 caesium carbonate 作用下，以乙醚、水、乙腈为溶剂，生成 <1-(β-D-ribofuranosyl)thymine>-3'-spiro-5''-<4''-amino-1'',2''-oxathiole 2'',2''-dioxide>

参考文献：

名称：