3-<(Benzyloxy)methyl>-1-<3',5'-bis-O-(2,4-dichlorobenzyl)-β-D-ribofuranosyl>thymin | 163759-45-3

分子结构分类

有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷

中文名称

——

中文别名

——

英文名称

3-<(Benzyloxy)methyl>-1-<3',5'-bis-O-(2,4-dichlorobenzyl)-β-D-ribofuranosyl>thymin

英文别名

1-[(2R,3R,4S,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-hydroxyoxolan-2-yl]-5-methyl-3-(phenylmethoxymethyl)pyrimidine-2,4-dione

3-<(Benzyloxy)methyl>-1-<3',5'-bis-O-(2,4-dichlorobenzyl)-β-D-ribofuranosyl>thymin化学式

CAS

163759-45-3

化学式

C₃₂H₃₀Cl₄N₂O₇

mdl

——

分子量

696.411

InChiKey

QBXNJPDGIKVXMD-BUVRPPHQSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

774.8±70.0 °C(Predicted)
密度：

1.49±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

5.7
重原子数：

45
可旋转键数：

12
环数：

5.0
sp3杂化的碳原子比例：

0.31
拓扑面积：

97.8
氢给体数：

1
氢受体数：

7

上下游信息

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	1-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methoxyoxolan-2-yl]-5-methyl-3-(phenylmethoxymethyl)pyrimidine-2,4-dione	168427-40-5	C₃₃H₃₂Cl₄N₂O₇	710.438
——	3-Benzyloxymethyl-1-{(2R,3R,4R,5R)-4-(2,4-dichloro-benzyloxy)-5-(2,4-dichloro-benzyloxymethyl)-3-[2-(2-methoxy-ethoxy)-ethoxy]-tetrahydro-furan-2-yl}-5-methyl-1H-pyrimidine-2,4-dione	163759-57-7	C₃₇H₄₀Cl₄N₂O₉	798.545
——	3-Benzyloxymethyl-1-[(2R,3R,4R,5R)-4-(2,4-dichloro-benzyloxy)-5-(2,4-dichloro-benzyloxymethyl)-3-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione	163759-58-8	C₄₁H₄₈Cl₄N₂O₁₁	886.651
——	3-Benzyloxymethyl-1-[(2R,3R,4R,5R)-4-(2,4-dichloro-benzyloxy)-5-(2,4-dichloro-benzyloxymethyl)-3-(2-methoxy-ethoxy)-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione	163759-46-4	C₃₅H₃₆Cl₄N₂O₈	754.491
——	3-Benzyloxymethyl-1-((2R,3R,4R,5R)-4-(2,4-dichloro-benzyloxy)-5-(2,4-dichloro-benzyloxymethyl)-3-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione	163759-61-3	C₃₉H₄₄Cl₄N₂O₁₀	842.598
——	3-Benzyloxymethyl-1-[(2R,3R,4R,5R)-3-{2-[2-(2-decyloxy-ethoxy)-ethoxy]-ethoxy}-4-(2,4-dichloro-benzyloxy)-5-(2,4-dichloro-benzyloxymethyl)-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione	163759-65-7	C₄₈H₆₂Cl₄N₂O₁₀	968.84
——	3-Benzyloxymethyl-1-[(2R,3R,4R,5R)-4-(2,4-dichloro-benzyloxy)-5-(2,4-dichloro-benzyloxymethyl)-3-propoxy-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione	168427-41-6	C₃₅H₃₆Cl₄N₂O₇	738.492
——	3-<(Benzyloxy)methyl>-1-<3',5'-bis-O-(2,4-dichlorobenzyl)-2'-O-<(R)-2-hydroxypropyl>-β-D-ribofuranosyl>thymin	163760-16-5	C₃₅H₃₆Cl₄N₂O₈	754.491
——	3-<(Benzyloxy)methyl>-1-<3',5'-bis-O-(2,4-dichlorobenzyl)-2'-O-<(R)-2-methoxypropyl>-β-D-ribofuranosyl>thymin	163760-17-6	C₃₆H₃₈Cl₄N₂O₈	768.518
——	3-Benzyloxymethyl-1-[(2R,3R,4R,5R)-4-(2,4-dichloro-benzyloxy)-5-(2,4-dichloro-benzyloxymethyl)-3-isopropoxy-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione	168427-43-8	C₃₅H₃₆Cl₄N₂O₇	738.492
——	3-Benzyloxymethyl-1-[(2R,3R,4R,5R)-4-(2,4-dichloro-benzyloxy)-5-(2,4-dichloro-benzyloxymethyl)-3-((R)-2-hydroxy-3-methoxy-propoxy)-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione	168427-55-2	C₃₆H₃₈Cl₄N₂O₉	784.518
——	3-Benzyloxymethyl-1-[(2R,3R,4R,5R)-4-(2,4-dichloro-benzyloxy)-5-(2,4-dichloro-benzyloxymethyl)-3-((R)-2,3-dimethoxy-propoxy)-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione	168427-59-6	C₃₇H₄₀Cl₄N₂O₉	798.545
——	3-Benzyloxymethyl-1-[(2R,3R,4R,5R)-4-(2,4-dichloro-benzyloxy)-5-(2,4-dichloro-benzyloxymethyl)-3-((R)-2-hydroxy-3-octadecyloxy-propoxy)-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione	168427-57-4	C₅₃H₇₂Cl₄N₂O₉	1022.97
——	3-Benzyloxymethyl-1-[(2R,3R,4R,5R)-4-(2,4-dichloro-benzyloxy)-5-(2,4-dichloro-benzyloxymethyl)-3-((R)-3-hexadecyloxy-2-hydroxy-propoxy)-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione	163878-64-6	C₅₁H₆₈Cl₄N₂O₉	994.921
——	3-Benzyloxymethyl-1-[(2R,3R,4R,5R)-4-(2,4-dichloro-benzyloxy)-5-(2,4-dichloro-benzyloxymethyl)-3-((R)-1-oxiranylmethoxy)-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione	163759-70-4	C₃₅H₃₄Cl₄N₂O₈	752.476
——	3-Benzyloxymethyl-1-[(2R,3R,4R,5R)-4-(2,4-dichloro-benzyloxy)-5-(2,4-dichloro-benzyloxymethyl)-3-((S)-2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione	163759-71-5	C₃₈H₄₀Cl₄N₂O₉	810.556
——	1-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]oxolan-2-yl]-5-methyl-3-(phenylmethoxymethyl)pyrimidine-2,4-dione	163759-73-7	C₃₈H₄₀Cl₄N₂O₉	810.556
——	1-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione	168427-64-3	C₂₅H₂₄Cl₄N₂O₆	590.287
——	1-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione	168427-92-7	C₃₀H₃₂Cl₄N₂O₈	690.405
DMT-2'-甲氧基-5-甲基尿苷	5'-O-(4,4'-dimethoxytrityl)-2'-O-methyl-5-methyluridine	153631-19-7	C₃₂H₃₄N₂O₈	574.631
5'-O-[双(4-甲氧基苯基)苯基甲基]-2'-O-(2-甲氧基乙基)-5-甲基尿苷	5'-O-(4,4'-dimethoxytriphenylmethyl)-2'-O-(2-methoxyethyl)-5-methyluridine	163759-50-0	C₃₄H₃₈N₂O₉	618.684
2’-O-(2-甲氧基乙基)-5-甲基尿苷	2'-O-(2-methoxyethyl)-5-methyluridine	163759-49-7	C₁₃H₂₀N₂O₇	316.311
2’-O-甲基-5-甲基尿苷	2'-O-Methyl-5-methyluridine	55486-09-4	C₁₁H₁₆N₂O₆	272.258
——	1-[(2R,3R,4R,5R)-3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione	168428-01-1	C₁₆H₂₄N₂O₈	372.375
5'-O-[二(4-甲氧基苯基)苯基甲基]-5-甲基-2'-O-甲基尿苷3'-[2-氰基乙基二异丙基氨基亚磷酸酯]	(2R,3R,4R,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-((tert-butyldimethylsilyl)oxy)-5-(5-methyl-2,4-dioxo-3,4-dihyd ropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite	153631-20-0	C₄₁H₅₁N₄O₉P	774.851
5-甲基-DMT-2'-甲氧基尿苷	[5'-O-(4,4'-dimethoxytriphenylmethyl)-2'-O-(2-methoxyethyl)-5-methyluridin-3'-O-yl]-2-cyanoethyl-N,N-diisopropylphosphoramidite	163878-63-5	C₄₃H₅₅N₄O₁₀P	818.904

反应信息

作为反应物：

描述：

3-<(Benzyloxy)methyl>-1-<3',5'-bis-O-(2,4-dichlorobenzyl)-β-D-ribofuranosyl>thymin 在 palladium on activated charcoal 氢气、 sodium methylate 、 sodium acetate 、 sodium hydride 作用下，以四氢呋喃、甲醇为溶剂， 25.0~70.0 ℃ 、300.0 kPa 条件下，生成 2’-O-(2-甲氧基乙基)-5-甲基尿苷

参考文献：

名称：

神经元祖刚族2'- O-烷基核糖核苷和本征结构的寡核苷酸

摘要：

新进入2个' Ø烷基化的核糖核苷和2个'的属性Ø烷基化的寡核糖核苷酸

DOI：

10.1002/hlca.19950780219
作为产物：

描述：

1-甲基-3,5-二-O-(2,4-二氯苄基)-alpha-D-呋喃核糖在吡啶、 4-二甲氨基吡啶、 N,O-双三甲硅基乙酰胺、三氟甲磺酸三甲基硅酯、 sodium methylate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯作用下，以甲醇、乙腈为溶剂，反应 50.17h，生成 3-<(Benzyloxy)methyl>-1-<3',5'-bis-O-(2,4-dichlorobenzyl)-β-D-ribofuranosyl>thymin

参考文献：

名称：

神经元祖刚族2'- O-烷基核糖核苷和本征结构的寡核苷酸

摘要：

新进入2个' Ø烷基化的核糖核苷和2个'的属性Ø烷基化的寡核糖核苷酸

DOI：

10.1002/hlca.19950780219

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文献信息

Ein neuer Zugang zu 2?-O-Alkylribonucleosiden und Eigenschaften deren Oligonucleotide

作者：Pierre Martin

DOI：10.1002/hlca.19950780219

日期：1995.3.22

A New Access to 2′-O-Alkylated Ribonucleosides and Properties of 2′-O-Alkylated Oligoribonucleotides

新进入2个' Ø烷基化的核糖核苷和2个'的属性Ø烷基化的寡核糖核苷酸