benzyl 1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carboxylate | 153874-43-2

分子结构分类

有机化合物 - 有机杂环化合物 - 吲哚及其衍生物

中文名称

——

中文别名

——

英文名称

benzyl 1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carboxylate

英文别名

benzyl 3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxylate；1,3,4,9-Tetrahydro-beta-carboline-2-carboxylic acid benzyl ester；benzyl 1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

benzyl 1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carboxylate化学式

CAS

153874-43-2

化学式

C₁₉H₁₈N₂O₂

mdl

——

分子量

306.364

InChiKey

CDQISAIRRKFRQK-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

508.1±50.0 °C(Predicted)
密度：

1.286±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

辛醇/水分配系数(LogP)：

3.3
重原子数：

23
可旋转键数：

3
环数：

4.0
sp3杂化的碳原子比例：

0.21
拓扑面积：

45.3
氢给体数：

1
氢受体数：

2

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
1,2,3,4-四氢-9H-吡啶[3,4-B]并吲哚	tetrahydrobetacarboline	16502-01-5	C₁₁H₁₂N₂	172.23
——	1,2,3,4-tetrahydro-β-carboline-1-carboxylic acid	——	C₁₂H₁₂N₂O₂	216.239

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	2-benzyloxycarbonyl-9-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole	170864-80-9	C₂₀H₂₀N₂O₂	320.391
——	2-benzyloxycarbonyl-9-{[4-(fluoro)phenyl]methyl}-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole	311761-23-6	C₂₆H₂₃FN₂O₂	414.479
——	2-benzyloxycarbonyl-9-{[4-(trifluoromethyl)phenyl]methyl}-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole	311761-21-4	C₂₇H₂₃F₃N₂O₂	464.487
——	2-Benzyloxycarbonyl-9-[(4-benzyloxyphenyl)methyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole	311761-19-0	C₃₃H₃₀N₂O₃	502.613
1,2,3,4-四氢-9H-吡啶[3,4-B]并吲哚	tetrahydrobetacarboline	16502-01-5	C₁₁H₁₂N₂	172.23
——	9-Benzenesulfonyl-1,3,4,9-tetrahydro-β-carboline-2-carboxylic acid benzyl ester	——	C₂₅H₂₂N₂O₄S	446.527
——	1,2,3,4-Tetrahydropyrido[3,4-b]indole 7	——	C₁₉H₁₈N₂O₂	306.364
——	9-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole	16502-02-6	C₁₂H₁₄N₂	186.257
——	1,2,3,4-Tetrahydro pyrido[3,4-b]indole 24	——	C₂₇H₂₄N₂O₄	440.499
——	1,2,3,4-Tetrahydropyrido[3,4-b]indole 10	——	C₂₅H₂₂N₂O₂	382.462
——	1,2,3,4-Tetrahydro pyrido[3,4-b]indole 19	——	C₂₅H₂₂N₂O₂	382.462
——	2-(4-Hydroxy)benzoyl-9-[(4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole	——	C₂₅H₂₂N₂O₃	398.461
——	1,2,3,4-Tetrahydropyrido[3,4-b]indole 15	——	C₂₆H₂₂N₂O₄	426.472
——	1,2,3,4-Tetrahydro pyrido[3,4-b]indole 20	——	C₂₆H₂₄N₂O₂	396.489
——	1,2,3,4-Tetrahydro pyrido[3,4-b]indole 29	——	C₂₆H₂₄N₂O₃	412.488
——	1,2,3,4-Tetrahydropyrido[3,4-b]indole 12	——	C₂₅H₂₃N₃O₂	397.477
——	1,2,3,4-Tetrahydropyrido[3,4-b]indole 9	——	C₂₄H₂₆N₂O₄	406.481
——	1,2,3,4-Tetrahydropyrido[3,4-b]indole 11	——	C₂₅H₂₂N₂O₃	398.461
——	1,2,3,4-Tetrahydro pyrido[3,4-b]indole 25	——	C₂₅H₂₃N₃O₂	397.477
——	1,2,3,4-Tetrahydropyrido[3,4-b]indole 8	——	C₂₁H₂₀N₂O₄	364.401
——	1,2,3,4-Tetrahydro pyrido[3,4-b]indole 32	——	C₂₆H₂₄N₂O₃	412.488
——	1,2,3,4-Tetrahydro pyrido[3,4-b]indole 21	——	C₂₉H₃₀N₂O₂	438.569
——	1,2,3,4-Tetrahydro pyrido[3,4-b]indole 35	——	C₂₇H₂₆N₂O₃	426.515
——	1,2,3,4-Tetrahydro pyrido[3,4-b]indole 28	——	C₂₅H₂₂N₂O₃	398.461
——	1,2,3,4-Tetrahydro pyrido[3,4-b]indole 26	——	C₂₆H₂₅N₃O₂	411.503
——	1,2,3,4-Tetrahydro pyrido[3,4-b]indole 27	——	C₂₅H₂₂N₂O₃	398.461
9-苄基-1,2,3,4-四氢吡啶并[3,4-b]吲哚	9-benzyl-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole	134331-71-8	C₁₈H₁₈N₂	262.354
——	2-(3-Chloro-4-hydroxy)benzoyl-9-[(4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole	——	C₂₅H₂₁ClN₂O₃	432.906
——	1,2,3,4-Tetrahydropyrido[3,4-b]indole 14	——	C₂₆H₂₄N₂O₄S	460.554
——	2-(2-Hydroxy-4-methyl)benzoyl-9-[(4-hydroxyphenyl)methyl]1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole	——	C₂₆H₂₄N₂O₃	412.488
——	4-(1,2,3,4-Tetrahydropyrido[3,4-b]indol-9-ylmethyl)phenol	775568-59-7	C₁₈H₁₈N₂O	278.354
——	9-[(4-Fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole	687631-27-2	C₁₈H₁₇FN₂	280.345
——	2-(4-Chloro-2-hydroxy)benzoyl-9-[(4-hydroxyphenyl)methyl]1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole	——	C₂₅H₂₁ClN₂O₃	432.906
——	1,2,3,4-Tetrahydro pyrido[3,4-b]indole 23	——	C₂₅H₂₀Cl₂N₂O₂	451.352
——	1,2,3,4-Tetrahydro pyrido[3,4-b]indole 34	——	C₂₅H₂₀Cl₂N₂O₃	467.351
——	1,2,3,4-Tetrahydro pyrido[3,4-b]indole 36	——	C₂₇H₂₆N₂O₄	442.514
——	9-Benzenesulfonyl-2,3,4,9-tetrahydro-1H-β-carboline	——	C₁₇H₁₆N₂O₂S	312.392
——	4-[2-(9-Benzenesulfonyl-1,3,4,9-tetrahydro-β-carbolin-2-yl)-1-hydroxyethyl]cyclohexanone	1189555-51-8	C₂₅H₂₈N₂O₄S	452.574
——	2-(9-Benzenesulfonyl-1,3,4,9-tetrahydro-β-carbolin-2-yl)-1-(1,4-dioxaspiro[4.5]dec-8-yl)ethanol	1189555-50-7	C₂₇H₃₂N₂O₅S	496.627
——	4-[2-(9-Benzenesulfonyl-1,3,4,9-tetrahydro-β-carbolin-2-yl)-1-(tert-butyldimethylsilanyloxy)ethyl]cyclohexanone	1189555-53-0	C₃₁H₄₂N₂O₄SSi	566.837
——	4-[2-(9-Benzenesulfonyl-1,3,4,9-tetrahydro-β-carbolin-2-yl)-1-(tert-butyldimethylsilanyloxy)ethyl]-1-dimethylamino-cyclohexanecarbonitrile	1189555-54-1	C₃₄H₄₈N₄O₃SSi	620.932
——	[4-[2-(9-benzenesulfonyl-1,3,4,9-tetrahydro-β-carbolin-2-yl)-1-(tert-butyldimethylsilanyloxy)ethyl]-1-(3-fluorophenyl)cyclohexyl]dimethylamine	1189555-55-2	C₃₉H₅₂FN₃O₃SSi	690.01