2-(6-溴-5-甲基-2,4-二氧代-1,4-二氢噻吩并[2,3-D]嘧啶-3(2H)-基)- | 1434643-33-0

分子结构分类

有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物

中文名称

2-(6-溴-5-甲基-2,4-二氧代-1,4-二氢噻吩并[2,3-D]嘧啶-3(2H)-基)-

中文别名

——

英文名称

tert-butyl 2-(2-bromo-3-methyl-4,6-dioxo-1-thia-5,7-diaza-5,7-dihydroinden-5-yl)-2-methylpropionate

英文别名

tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidine-3(2H)-yl)-2-methylpropanoate；t-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimid-3-yl)-2-methylpropionate；tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3 (2H)-yl)-2-methylpropanoate；tert-Butyl 2-(6-bromo-5-methyl-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3(2H)-yl)-2-methylpropanoate；tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate

2-(6-溴-5-甲基-2,4-二氧代-1,4-二氢噻吩并[2,3-D]嘧啶-3(2H)-基)-化学式

CAS

1434643-33-0

化学式

C₁₅H₁₉BrN₂O₄S

mdl

——

分子量

403.297

InChiKey

APGNVOSIXZYEPK-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

密度：

1.471±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

3.5
重原子数：

23
可旋转键数：

4
环数：

2.0
sp3杂化的碳原子比例：

0.53
拓扑面积：

104
氢给体数：

1
氢受体数：

5

安全信息

储存条件：

室温

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
——	tert-butyl 2-methyl-2-(5-methyl-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidine-3(2H)-yl)propanoate	1434643-28-3	C₁₅H₂₀N₂O₄S	324.401
3-(1-(叔丁氧基)-2-甲基-1-氧代丙-2-基)-5-甲基-2,4-二氧代-1,2,3,4-四	2-methyl-2-(5-methyl-6-oxazol-2-yl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)propanoic acid	1434643-23-8	C₁₆H₂₀N₂O₆S	368.411
——	ethyl 3-(2-tert-butoxy-1,1-dimethyl-2-oxoethyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate	1434643-18-1	C₁₈H₂₄N₂O₆S	396.464

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	2-(2-bromo-3-methyl-4,6-dioxo-1-thia-5,7-diaza-5,7-dihydroinden-5-yl)-2-methylpropionic acid	1434651-13-4	C₁₁H₁₁BrN₂O₄S	347.189
——	[tert-butyl(dimethyl)silyl] 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate	1434651-18-9	C₁₇H₂₅BrN₂O₄SSi	461.452
——	Tert-butyl 2-[6-bromo-1-[2-(2-ethylphenyl)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate	1434643-89-6	C₂₅H₃₁BrN₂O₄S	535.502
——	tert-butyl 2-[6-bromo-1-[(2R)-2-hydroxy-2-phenylethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate	1434648-20-0	C₂₃H₂₇BrN₂O₅S	523.448
——	Tert-butyl 2-[6-bromo-1-(2-hydroxy-2-phenylethyl)-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate	1434648-15-3	C₂₃H₂₇BrN₂O₅S	523.448
——	Tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1-phenacylthieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate	1434648-09-5	C₂₃H₂₅BrN₂O₅S	521.432
——	tert-butyl 2-[6-bromo-5-methyl-2,4-dioxo-1-[(2S)-2-phenyl-2-propan-2-yloxyethyl]thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate	1434643-44-3	C₂₆H₃₃BrN₂O₅S	565.528
——	tert-butyl 2-[6-bromo-5-methyl-2,4-dioxo-1-[(2R)-2-phenyl-2-phenylmethoxyethyl]thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate	1434644-20-8	C₃₀H₃₃BrN₂O₅S	613.572
——	Tert-butyl 2-[6-bromo-5-methyl-2,4-dioxo-1-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate	1434644-30-0	C₂₅H₂₈BrF₃N₂O₅S	605.473
——	2-[6-bromo-5-methyl-2,4-dioxo-1-[(2S)-2-phenyl-2-propan-2-yloxyethyl]thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid	1434643-49-8	C₂₂H₂₅BrN₂O₅S	509.421
——	Tert-butyl 2-[6-bromo-5-methyl-2,4-dioxo-1-[2-(4-oxocyclohexyl)oxy-2-phenylethyl]thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate	1434644-94-6	C₂₉H₃₅BrN₂O₆S	619.577
——	2-[6-bromo-1-[(2R)-2-(2-ethoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid	1434651-71-4	C₂₄H₂₉BrN₂O₆S	553.474
——	[(1R)-2-[6-bromo-5-methyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-1-phenylethyl] 3-[tert-butyl(dimethyl)silyl]oxyazetidine-1-carboxylate	1434650-54-0	C₃₃H₄₆BrN₃O₇SSi	736.8
——	[tert-butyl(dimethyl)silyl] 2-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate	1434651-37-2	C₂₉H₄₁BrN₂O₆SSi	653.71
——	[tert-butyl(dimethyl)silyl] 2-[6-bromo-1-[(2R)-2-(2-ethoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate	1434651-66-7	C₃₀H₄₃BrN₂O₆SSi	667.737
——	[(1R)-2-[6-bromo-5-methyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-1-phenylethyl] 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate	1434648-32-4	C₄₅H₅₄BrN₃O₇SSi	888.995
——	Tert-butyl 2-[1-[2-(2-ethylphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate	1434643-95-4	C₂₈H₃₃N₃O₅S	523.653
——	Tert-butyl 2-methyl-2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-3-yl]propanoate	1434644-36-6	C₂₈H₃₀F₃N₃O₆S	593.624
——	2-[1-[2-(2-ethylphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid	1434632-62-8	C₂₄H₂₅N₃O₅S	467.546
——	methyl-2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1-[(2S)-2-phenyl-2-(propan-2-yloxy)ethyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid	1434631-76-1	C₂₅H₂₇N₃O₆S	497.572
——	2-methyl-2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid	1434644-41-3	C₂₄H₂₂F₃N₃O₆S	537.516
——	2-methyl-2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid	1434632-94-6	C₂₄H₂₂F₃N₃O₆S	537.516
——	(S)-2-methyl-2-(5-methyl-6-(oxazol-2-yl)-2,4-dioxo-1-(2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl)-1,2-dihydrothieno[2,3-d]pyrimidin-3(4H)-yl)propanoic acid	1434632-88-8	C₂₄H₂₂F₃N₃O₆S	537.516
——	[(1R)-2-[5-methyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-1-phenylethyl] 4-hydroxypiperidine-1-carboxylate	1434648-44-8	C₃₂H₃₈N₄O₈S	638.742
——	2-[1-[(2R)-2-(2-methoxyphenyl)-2-(propan-2-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid	1434634-21-5	C₂₆H₂₉N₃O₇S	527.598
——	2-[1-[(2R)-2-[(3-hydroxyazetidin-1-yl)carbonyloxy]-2-phenylethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid	1434638-59-1	C₂₆H₂₆N₄O₈S	554.58
——	ND-630	1434635-54-7	C₂₈H₃₁N₃O₈S	569.635
——	[tert-butyl(dimethyl)silyl] 2-[1-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate	1434651-42-9	C₃₂H₄₃N₃O₇SSi	641.861
——	[(1R)-2-[5-methyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-1-phenylethyl] 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate	1434648-38-0	C₄₈H₅₆N₄O₈SSi	877.146

反应信息

作为反应物：

描述：

2-(6-溴-5-甲基-2,4-二氧代-1,4-二氢噻吩并[2,3-D]嘧啶-3(2H)-基)- 在三氟乙酸作用下，以二氯甲烷为溶剂，反应 3.0h，以86.7%的产率得到2-(2-bromo-3-methyl-4,6