(3R,3aS)-7-bromo-3-(hydroxymethyl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one

分子结构分类

有机化合物 - 有机杂环化合物 - 苯并恶嗪类

中文名称

——

中文别名

——

英文名称

(3R,3aS)-7-bromo-3-(hydroxymethyl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one

英文别名

((3R,3aS)-7-bromo-1-oxo-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl)methyl 3-nitrobenzenesulfonate；(3R,3aS)-7-bromo-3-(hydroxymethyl)-3a,4-dihydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-1(3H)-one；(3R,3aS)-7-bromo-3-(hydroxymethyl)-3a,4-dihydro-1H,3H-benzo[b]oxazolo[3,4-d][1,4]oxazin-1-one

(3R,3aS)-7-bromo-3-(hydroxymethyl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one化学式

CAS

——

化学式

C₁₁H₁₀BrNO₄

mdl

——

分子量

300.109

InChiKey

ZGXMBLJOHVQLIE-WPRPVWTQSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

1.3
重原子数：

17
可旋转键数：

1
环数：

3.0
sp3杂化的碳原子比例：

0.36
拓扑面积：

59
氢给体数：

1
氢受体数：

4

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
——	(3R,3aS)-7-bromo-3-(((tert-butyldimethylsilyl)oxy)methyl)-3a,4-dihydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-1(3H)-one	911845-45-9	C₁₇H₂₄BrNO₄Si	414.371
——	(3R,3aS)-3-((1,1-dimethylethyl)dimethylsilanemethyl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one	911845-44-8	C₁₇H₂₅NO₄Si	335.475

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	((3R,3aS)-7-bromo-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-3-yl)methyl methanesulfonate	911845-49-3	C₁₂H₁₂BrNO₆S	378.2
——	(3R,3aS)-7-bromo-1-oxo-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazine-3-carboxylic acid	1443662-45-0	C₁₁H₈BrNO₅	314.092
——	(3S,3aS)-3-(aminomethyl)-7-bromo-3a,4-dihydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-1(3H)-one	——	C₁₁H₁₁BrN₂O₃	299.124
——	(3R,3aS)-3-(hydroxymethyl)-7-(3-oxomorpholino)-3a,4-dihydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-1(3H)-one	——	C₁₅H₁₆N₂O₆	320.302
——	(3S,3aS)-3-(azidomethyl)-7-bromo-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one	911845-50-6	C₁₁H₉BrN₄O₃	325.121
——	(3R,3aS)-7-bromo-1-oxo-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazine-3-carboxamide	1443662-47-2	C₁₁H₉BrN₂O₄	313.107
——	(3R,3aS)-7-bromo-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carbonyl chloride	1443662-46-1	C₁₁H₇BrClNO₄	332.538
——	(3R,3aS)-3-(hydroxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3a,4-dihydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-1(3H)-one	1427171-69-4	C₁₇H₂₂BNO₆	347.176
——	((3R,3aS)-7-bromo-1-oxo-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl)methyl 3-nitrobenzenesulfonate	1341209-33-3	C₁₇H₁₃BrN₂O₈S	485.269
——	(3S,3aS)-3-((1H-1,2,3-triazol-1-yl)methyl)-7-bromo-3a,4-dihydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-1(3H)-one	1350561-37-3	C₁₃H₁₁BrN₄O₃	351.159
——	N-(((3S,3aS)-1-oxo-7-phenyl-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl)methyl)acetamide	1341208-55-6	C₁₉H₁₈N₂O₄	338.363
——	N-{[(3S,3aS)-7-(3-aminophenyl)-1-oxo-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl]methyl}acetamide	1341208-59-0	C₁₉H₁₉N₃O₄	353.378
——	N-(((3S,3aS)-7-(4-cyanophenyl)-1-oxo-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl)methyl)acetamide	1341208-57-8	C₂₀H₁₇N₃O₄	363.373
——	N-(((3S,3aS)-1-oxo-7-(pyridin-4-yl)-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl)methyl)acetamide	1341208-60-3	C₁₈H₁₇N₃O₄	339.351
——	N-(((3S,3aS)-1-oxo-7-(pyrimidin-5-yl)-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl)methyl)acetamide	1341208-67-0	C₁₇H₁₆N₄O₄	340.338
——	N-(((3S,3aS)-7-(4-acetylphenyl)-1-oxo-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl)methyl)acetamide	1341208-58-9	C₂₁H₂₀N₂O₅	380.4
——	N-(((3S,3aS)-1-oxo-7-(pyridin-3-yl)-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl)methyl)acetamide	1341208-61-4	C₁₈H₁₇N₃O₄	339.351
——	N-{[(3S,3aS)-1-oxo-7-(thiophen-3-yl)-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl]methyl}acetamide	1341208-54-5	C₁₇H₁₆N₂O₄S	344.391
——	N-(((3S,3aS)-7-(2-aminopyrimidin-5-yl)-1-oxo-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl)methyl)acetamide	1341208-69-2	C₁₇H₁₇N₅O₄	355.353
——	N-{[(3S,3aS)-1-oxo-7-(thiophen-2-yl)-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl]methyl}acetamide	1341208-53-4	C₁₇H₁₆N₂O₄S	344.391
——	N-(((3S,3aS)-7-(2-cyanopyrimidin-5-yl)-1-oxo-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl)methyl)acetamide	1341208-70-5	C₁₈H₁₅N₅O₄	365.348
——	N-{[(3S,3aS)-7-(3-nitrophenyl)-1-oxo-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl]methyl}acetamide	1341208-56-7	C₁₉H₁₇N₃O₆	383.36
——	N-(((3S,3aS)-1-oxo-7-(6-aminopyridin-3-yl)-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl)methyl)acetamide	1341208-65-8	C₁₈H₁₈N₄O₄	354.365
——	N-(((3S,3aS)-1-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl)methyl)acetamide	1341208-52-3	C₁₉H₂₅BN₂O₆	388.228
——	N-(((3S,3aS)-7-(6-cyanopyridin-3-yl)-1-oxo-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl)methyl)acetamide	1341208-63-6	C₁₉H₁₆N₄O₄	364.36
——	N-{[(3S,3aS)-7-(6-(cyanomethyl)pyridin-3-yl)-1-oxo-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl]methyl}acetamide	1341208-79-4	C₂₀H₁₈N₄O₄	378.387
——	(3R,3aS)-1-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazine-3-carboxamide	1443662-48-3	C₁₇H₂₁BN₂O₆	360.175
——	N-(((3S,3aS)-7-(6-methoxypyridin-3-yl)-1-oxo-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl)methyl)acetamide	1341208-74-9	C₁₉H₁₉N₃O₅	369.377
——	(3R,3aS)-7-(6-cyanopyridin-3-yl)-1-oxo-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazine-3-carboxamide	1443662-62-1	C₁₇H₁₂N₄O₄	336.307
——	N-(((3S,3aS)-7-(5-cyanopyridin-3-yl)-1-oxo-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl)methyl)acetamide	1341208-93-2	C₁₉H₁₆N₄O₄	364.36
——	N-(((3S,3aS)-7-(6-(acetyl)aminopyridin-3-yl)-1-oxo-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl)methyl)acetamide	1341208-75-0	C₂₀H₂₀N₄O₅	396.403
——	N-(((3S,3aS)-7-(6-(acetyl)pyridin-3-yl)-1-oxo-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl