(1R,3S,4S)-3-(6-BroMo-1H-benziMidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylic acid 1,1-diMethylethyl ester（CAS号：1256387-74-2）

(1R,3S,4S)-3-(6-溴-1H-苯并咪唑-2-基)-2-氮杂双环[2.2.1]庚烷-2-羧酸叔丁酯

基本信息

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CAS号

1256387-74-2

分子式

C18H22BrN3O2

分子量

392.3 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

农用化学品农药除草剂

基本物理性质

沸点

554.3±30.0°C at 760 mmHg

溶解度

Insuluble (5.1E-3 g/L) (25 ºC),

SMILES

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CC(C)(C)OC(=O)N1C2CCC(C2)C1C3=NC4=C(N3)C=C(C=C4)Br

InChI

InChI=1S/C18H22BrN3O2/c1-18(2,3)24-17(23)22-12-6-4-10(8-12)15(22)16-20-13-7-5-11(19)9-14(13)21-16/h5,7,9-10,12,15H,4,6,8H2,1-3H3,(H,20,21)/t10-,12+,15-/m0/s1

InChIKey

IODPTNKFQCJTSI-NVBFEUDRSA-N

LogP

4.785900000000004

拓扑极性表面积

58.22 Å²

氢键供体/受体

1 / 5

复杂度

509

安全信息

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GHS危险象形图

H302

危险说明

H302 吞咽有害
急性毒性-经口

同义词与引用数据

英文

(1R,3S,4S)-3-(6-Bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylic acid 1,1-dimethylethyl ester
(1R,3S,4S)-tert-Butyl 3-(6-bromo-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(6-broMo-1H-benziMidazol-2-yl)-, 1,1-diMethylethyl ester,(1R,3S,4S)-
(1r,3s,4s)-3-(6-bromo-1h-benzimidazol-2-yl)-2-azabicyclo(2.2.1)heptane-2-carboxylic acid 1,1-dimethylethyl ester
Ledipasvir Intermediates
tert-butyl (1R,3S,4S)-3-(6-bromo-1H-1,3-benzodiazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
(1R,3S,4S)-3-(6-BroMo-1H-benziMidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylic acid 1,1-diMethylethyl ester
AC-28972
DTXSID701105995
A854742
I11839
CS-M3715
(1R,3 S,4S)-tert-butyl 3-(6-bromo-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
DS-19151
AKOS027460668
1256387-74-2
IODPTNKFQCJTSI-NVBFEUDRSA-N
tert-butyl (1R,3S,4S)-3-(5-bromo-1H-1,3-benzodiazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
AKOS032949633
tert-butyl (1R,3S,4S)-3-(6-broMo-1H-benzo[d]iMidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
(1R,3S,4S)-tert-butyl3-(6-bromo-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
2-Azabicyclo(2.2.1)heptane-2-carboxylic acid, 3-(6-bromo-1H-benzimidazol-2-yl)-, 1,1-dimethylethyl ester, (1R,3S,4S)-
tert-butyl (1S,2S,4R)-2-(6-bromo-1H-benzimidazol-2-yl)-3-azabicyclo[2.2.1]heptane-3-carboxylate
SCHEMBL2706598
(1R,3S,4S)-tert-butyl 3-(6-bromo-1H-benzo[d]imidazol-2-yl)-2-aza-bicyclo[2.2.1]heptane-2-carboxylate;(1R,3S,4S)-tert-Butyl 3-(6-bromo-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
C18H22BrN3O2
MFCD28386937
AMY12348
EC 800-428-5
tert-butyl (1R,3S,4S)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(6-bromo-1H-benzimidazol-2-yl)-, 1,1-dimethylethyl ester, (1R,3S,4S)-