ethyl (1S,5R,14R)-14-hydroxy-2-(4-methylphenyl)sulfonyloxy-3,11-dioxo-2,4,6,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-7,9-diene-4-carboxylate | 1000612-08-7

分子结构分类

有机化合物 - 苯类化合物 - 苯和取代衍生物

中文名称

——

中文别名

——

英文名称

ethyl (1S,5R,14R)-14-hydroxy-2-(4-methylphenyl)sulfonyloxy-3,11-dioxo-2,4,6,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-7,9-diene-4-carboxylate

英文别名

——

ethyl (1S,5R,14R)-14-hydroxy-2-(4-methylphenyl)sulfonyloxy-3,11-dioxo-2,4,6,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-7,9-diene-4-carboxylate化学式

CAS

1000612-08-7

化学式

C₂₁H₂₂N₄O₈S

mdl

——

分子量

490.494

InChiKey

KNPNOKQXINTAHC-IQVOZAENSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

702.2±70.0 °C(Predicted)
密度：

1.65±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

辛醇/水分配系数(LogP)：

1.2
重原子数：

34
可旋转键数：

5
环数：

5.0
sp3杂化的碳原子比例：

0.38
拓扑面积：

147
氢给体数：

1
氢受体数：

8

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
——	ethyl (1S,5R,14R)-14-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)sulfonyloxy-3,11-dioxo-2,4,6,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-7,9-diene-4-carboxylate	1000612-07-6	C₂₇H₃₆N₄O₈SSi	604.756
——	methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(4,5-dibromo-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxylate	1000612-00-9	C₁₇H₂₆Br₂N₂O₄Si	510.298

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	ethyl (3aS,5R,12aR)-5-[(ethoxycarbonyl)oxy]-2,8-dioxo-3-(tosyloxy)-2,3,5,6,8,12a-hexahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazine-1(4H)-carboxylate	1372717-43-5	C₂₄H₂₆N₄O₁₀S	562.557
——	ethyl (3aS,5S,12aR)-5-chloro-2,8-dioxo-3-(tosyloxy)-2,3,5,6,8,12a-hexahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazine-1(4H)-carboxylate	1372717-61-7	C₂₁H₂₁ClN₄O₇S	508.939
——	ethyl (3aS,5S,12aS)-10,11-dibromo-5-hydroxy-2,8-dioxo-3-(tosyloxy)-2,3,5,6,8,12a-hexahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazine-1(4H)-carboxylate	1372717-46-8	C₂₁H₂₀Br₂N₄O₈S	648.286
——	ethyl (1S,5R,14S)-14-bromo-2-(4-methylphenyl)sulfonyloxy-3,11-dioxo-2,4,6,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-7,9-diene-4-carboxylate	1000612-09-8	C₂₁H₂₁BrN₄O₇S	553.39
——	ethyl (3aS,5S,12aS)-10,11-dibromo-5-methoxy-2,8-dioxo-3-(tosyloxy)-2,3,5,6,8,12a-hexahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazine-1(4H)-carboxylate	1372717-48-0	C₂₂H₂₂Br₂N₄O₈S	662.313
——	ethyl (3aS,5R,12aS)-10,11-dibromo-5-(methoxymethoxy)-2,8-dioxo-3-(tosyloxy)-2,3,5,6,8,12a-hexahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazine-1(4H)-carboxylate	1372717-63-9	C₂₃H₂₄Br₂N₄O₉S	692.339
——	ethyl (3aS,5S,12aS)-10,11-dibromo-5-ethoxy-2,8-dioxo-3-(tosyloxy)-2,3,5,6,8,12a-hexahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazine-1(4H)-carboxylate	1372717-50-4	C₂₃H₂₄Br₂N₄O₈S	676.34
——	ethyl (3aS,5S,12aS)-10,11-dibromo-5-(hex-5-yn-1-yloxy)-2,8-dioxo-3-(tosyloxy)-2,3,5,6,8,12a-hexahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazine-1(4H)-carboxylate	1372717-66-2	C₂₇H₂₈Br₂N₄O₈S	728.415
——	ethyl (3aS,5S,12aS)-10,11-dibromo-5-isopropoxy-2,8-dioxo-3-(tosyloxy)-2,3,5,6,8,12a-hexahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazine-1(4H)-carboxylate	1372717-52-6	C₂₄H₂₆Br₂N₄O₈S	690.366
——	(3aS,5R,12aR)-5-hydroxy-1-methyl-2,8-dioxo-1,5,6,12a-tetrahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazin-3(2H,4H,8H)-yl 4-methylbenzenesulfonate	1372717-42-4	C₁₉H₂₀N₄O₆S	432.457
——	(3aS,5R,12aR)-5-[(ethoxycarbonyl)oxy]-1-methyl-2,8-dioxo-1,5,6,12a-tetrahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazin-3(2H,4H,8H)-yl 4-methylbenzenesulfonate	1372717-40-2	C₂₂H₂₄N₄O₈S	504.521
——	ethyl (3aS,5R,12aS)-10,11-dibromo-2,8-dioxo-3-(tosyloxy)-5-[{(trifluoromethyl)sulfonyl}oxy]-2,3,5,6,8,12a-hexahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazine-1(4H)-carboxylate	1372717-45-7	C₂₂H₁₉Br₂F₃N₄O₁₀S₂	780.349
——	ethyl (3aS,12aR)-2,8-dioxo-3-(tosyloxy)-2,3,8,12a-tetrahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazine-1(4H)-carboxylate	1372717-60-6	C₂₁H₂₀N₄O₇S	472.478
——	ethyl (3aS,12aR)-2,8-dioxo-3-(tosyloxy)-2,3,8,12a-tetrahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazine-1(6H)-carboxylate	1372717-62-8	C₂₁H₂₀N₄O₇S	472.478
——	4-azido-N-[1-(4-{4-({(3aR,5S,12aS)-10,11-dibromo-2,8-dioxo-1,2,3,4,5,6,8,12a-octahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]-pyrazin-5-yl}oxy)butyl}-1H-1,2,3-triazol-1-yl)-19,26-dioxo-30-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-3,6,9,12,15-pentaoxa-18,25-diazatriacontan-20-yl]-2,3,5,6-tetrafluorobenzamide	1372717-57-1	C₅₂H₆₉Br₂F₄N₁₅O₁₂S	1364.08
——	N-(2-(4-(4-(((3aR,5S,12aS)-10,11-dibromo-2,8-dioxo-1,2,3,4,5,6,8,12a-octahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazin-5-yl)oxy)butyl)-1H-1,2,3-triazol-1-yl)ethyl)-2-[7-(dimethylamino)-4-methyl-2-oxo-2H-chromen-3-yl]acetamide	1372717-55-9	C₃₃H₃₇Br₂N₉O₆	815.521
——	(3aR,5S,12aS)-5-[4-{1-(17-amino-3,6,9,12,15-pentaoxaheptadecyl)-1H-1,2,3-triazol-4-yl}butoxy]-10,11-dibromo-1,5,6,12atetrahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazine-2,8(3H,4H)-dione	1372717-56-0	C₂₉H₄₄Br₂N₈O₈	792.525
——	(3aR,5R,12aS)-10,11-dibromo-5-(methoxymethoxy)-1,5,6,12a-tetrahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazine-2,8(3H,4H)-dione	1372717-64-0	C₁₃H₁₄Br₂N₄O₄	450.087
——	(3aR,5S,12aS)-10,11-dibromo-5-methoxy-1,5,6,12a-tetrahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazine-2,8(3H,4H)-dione	1372717-49-1	C₁₂H₁₂Br₂N₄O₃	420.06
——	(3aR,5S,12aS)-10,11-dibromo-5-(hex-5-yn-1-yloxy)-1,5,6,12a-tetrahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazine-2,8(3H,4H)-dione	1372717-54-8	C₁₇H₁₈Br₂N₄O₃	486.163
——	(3aR,5S,12aS)-10,11-dibromo-5-isopropoxy-1,5,6,12a-tetrahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazine-2,8(3H,4H)-dione	1372717-53-7	C₁₄H₁₆Br₂N₄O₃	448.114
——	(3aR,5S,12aS)-10,11-dibromo-5-ethoxy-1,5,6,12a-tetrahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazine-2,8(3H,4H)-dione	1372717-51-5	C₁₃H₁₄Br₂N₄O₃	434.087
——	(3aR,5S,12aS)-10,11-dibromo-5-hydroxy-1,5,6,12a-tetrahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazine-2,8(3H,4H)-dione	1372717-47-9	C₁₁H₁₀Br₂N₄O₃	406.033
——	(3aR,5R,12aS)-10,11-dibromo-5-hydroxy-1,5,6,12a-tetrahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazine-2,8(3H,4H)-dione	1372717-37-7	C₁₁H₁₀Br₂N₄O₃	406.033
——	(3aR,5S,12aS)-10-bromo-5-methoxy-1,5,6,12a-tetrahydroimidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazine-2,8(3H,4H)-dione	1372717-65-1	C₁₂H₁₃BrN₄O₃	341.164
——