2-甲基-2-丙基{(1R)-2-[5-溴-3-(2,6-二氟苄基)-4-甲基-2,6-二氧代-3,6-二氢-1(2H)-嘧啶基]-1-苯基乙基}氨基甲酸酯 | 352303-69-6

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

2-甲基-2-丙基{(1R)-2-[5-溴-3-(2,6-二氟苄基)-4-甲基-2,6-二氧代-3,6-二氢-1(2H)-嘧啶基]-1-苯基乙基}氨基甲酸酯

中文别名

——

英文名称

(R)-N-3-[2-(2-Boc-amino)phenethyl]-5-bromo-1-(2,6-difluorobenzyl)-6-methyluracil

英文别名

3-[(2R)-(tert-butoxycarconylamino)-2-phenylethyl]-1-(2,6-difluorobenzyl)-5-bromo-6-methyluracil；{(R)-2-[5-bromo-3-(2,6-difluoro-benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenyl-ethyl}-carbamic acid tert-butyl ester；tert-butyl N-[(1R)-2-[5-bromo-3-[(2,6-difluorophenyl)methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]carbamate

2-甲基-2-丙基{(1R)-2-[5-溴-3-(2,6-二氟苄基)-4-甲基-2,6-二氧代-3,6-二氢-1(2H)-嘧啶基]-1-苯基乙基}氨基甲酸酯化学式

CAS

352303-69-6

化学式

C₂₅H₂₆BrF₂N₃O₄

mdl

——

分子量

550.4

InChiKey

ZIIJMTVOPPMHDE-FQEVSTJZSA-N

BEILSTEIN

——

EINECS

——

物化性质

密度：

1.426±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

4.6
重原子数：

35
可旋转键数：

8
环数：

3.0
sp3杂化的碳原子比例：

0.32
拓扑面积：

79
氢给体数：

1
氢受体数：

6

SDS

SDS：5134aba9fc44dc00eb448cbafa1dd58b

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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
5-溴-1-(2,6-二氟苄基)-6-甲基-2,4(1H,3H)-嘧啶二酮	5-bromo-1-(2,6-difluorobenzyl)-6-methyluracil	352303-66-3	C₁₂H₉BrF₂N₂O₂	331.116
1-(2,6-二氟苄基)-6-甲基-2,4(1H,3H)-嘧啶二酮	N-1-(2,6-difluorobenzyl)-6-methyluracil	352303-65-2	C₁₂H₁₀F₂N₂O₂	252.22

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	{(R)-2-[3-(2,6-difluoro-benzyl)-4-methyl-2,6-dioxo-5-piperazin-1-yl-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenyl-ethyl}-carbamic acid tert-butyl ester	1308375-94-1	C₂₉H₃₅F₂N₅O₄	555.625
——	{(R)-2-[5-(4-benzyl-piperazin-1-yl)-3-(2,6-difluoro-benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenyl-ethyl}-carbamic acid tert-butyl ester	1308380-20-2	C₃₆H₄₁F₂N₅O₄	645.749
——	{(R)-2-[3-(2,6-difluoro-benzyl)-4-methyl-2,6-dioxo-5-(4-phenethyl-piperazin-1-yl)-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenyl-ethyl}-carbamic acid tert-butyl ester	1308380-89-3	C₃₇H₄₃F₂N₅O₄	659.776
——	{(R)-2-[5-(2-Bromo-acetyl)-3-(2,6-difluoro-benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenyl-ethyl}-carbamic acid tert-butyl ester	352304-08-6	C₂₇H₂₈BrF₂N₃O₅	592.437
——	{(R)-2-[3-(2,6-difluoro-benzyl)-4-methyl-2,6-dioxo-5-(3-oxo-piperazin-1-yl)-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenyl-ethyl}-carbamic acid tert-butyl ester	1308380-47-3	C₂₉H₃₃F₂N₅O₅	569.608
——	tert-butyl N-[(1R)-2-[3-[(2,6-difluorophenyl)methyl]-5-(1-ethoxyethenyl)-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]carbamate	352304-04-2	C₂₉H₃₃F₂N₃O₅	541.595
——	6-Methyl-5-(2-fluorophenyl)-3-[2(R)-tert-butoxycarbonylamino-2-phenylethyl]-1-(2,6-difluorobenzyl)uracil	352303-90-3	C₃₁H₃₀F₃N₃O₄	565.592
——	((R)-2-{3-(2,6-difluoro-benzyl)-4-methyl-5-[4-(3-nitro-benzyl)-3-oxo-piperazin-1-yl]-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl}-1-phenyl-ethyl)-carbamic acid tert-butyl ester	1308380-48-4	C₃₆H₃₈F₂N₆O₇	704.731
——	3-[2(R)-(tert-butoxycarbonylamino)-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2,6-difluorobenzyl]-6-methylpyrimidine-2,4(1H,3H)-dione	830346-53-7	C₃₂H₃₂F₃N₃O₅	595.618
——	3-((R)-2-amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-[4-(4-fluoro-benzyl)-piperazin-1-yl]-6-methyl-1H-pyrimidine-2,4-dione	1308376-21-7	C₃₁H₃₂F₃N₅O₂	563.623
——	3-((R)-2-amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-6-methyl-5-[4-(4-methyl-benzyl)-piperazin-1-yl]-1H-pyrimidine-2,4-dione	1308376-19-3	C₃₂H₃₅F₂N₅O₂	559.659
——	3-((R)-2-amino-2-phenyl-ethyl)-5-(4-benzyl-piperazin-1-yl)-1-(2,6-difluoro-benzyl)-6-methyl-1H-pyrimidine-2,4-dione	1308375-11-2	C₃₁H₃₃F₂N₅O₂	545.632
——	3-((R)-2-amino-2-phenyl-ethyl)-5-[4-(4-chloro-benzyl)-piperazin-1-yl]-1-(2,6-difluoro-benzyl)-6-methyl-1H-pyrimidine-2,4-dione	1308375-05-4	C₃₁H₃₂ClF₂N₅O₂	580.077
——	3-((R)-2-amino-2-phenyl-ethyl)-5-[4-(3-chloro-benzyl)-piperazin-1-yl]-1-(2,6-difluoro-benzyl)-6-methyl-1H-pyrimidine-2,4-dione	1308376-14-8	C₃₁H₃₂ClF₂N₅O₂	580.077
——	3-((R)-2-amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-6-methyl-5-[4-(3-methyl-benzyl)-piperazin-1-yl]-1H-pyrimidine-2,4-dione	1308376-26-2	C₃₂H₃₅F₂N₅O₂	559.659
——	(R)-4-((4-(3-(2-amino-2-phenylethyl)-1-(2,6-difluorobenzyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)piperazin-1-yl)methyl)benzonitrile	1308376-10-4	C₃₂H₃₂F₂N₆O₂	570.642
——	(R)-3-(2-amino-2-phenylethyl)-1-(2,6-difluorobenzyl)-6-methyl-5-(piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione	1308380-08-6	C₂₄H₂₇F₂N₅O₂	455.507
——	(R)-3-((4-(3-(2-amino-2-phenylethyl)-1-(2,6-difluorobenzyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)piperazin-1-yl)methyl)benzonitrile	1308376-09-1	C₃₂H₃₂F₂N₆O₂	570.642
——	3-((R)-2-amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-[4-(3-fluoro-benzyl)-piperazin-1-yl]-6-methyl-1H-pyrimidine-2,4-dione	1308375-09-8	C₃₁H₃₂F₃N₅O₂	563.623
——	3-((R)-2-amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-6-methyl-5-[4-(4-trifluoromethyl-benzyl)-piperazin-1-yl]-1H-pyrimidine-2,4-dione	1308375-13-4	C₃₂H₃₂F₅N₅O₂	613.63