3-(2,7-二氯-8-氟吡啶并[4,3-D]嘧啶-4-基)-3,8-二氮杂双环[3.2.1]辛烷-8-羧酸叔丁酯 基本信息
| 中文名称 | 3-(2,7-二氯-8-氟吡啶并[4,3-D]嘧啶-4-基)-3,8-二氮杂双环[3.2.1]辛烷-8-羧酸叔丁酯 |
|---|---|
| 中文同义词 | 3-(2,7-二氯-8-氟吡啶并[4,3-D]嘧啶-4-基)-3,8-二氮杂双环[3.2.1]辛烷-8-羧酸叔丁酯;MRTX1133中间体2;4-(8-BOC-3,8-二氮杂二环[3.2.1]辛烷-3-基)-2,7-二氯-8-氟吡啶并[4,3-D]嘧啶 |
| 英文名称 | 3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 3-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-, 1,1-dimethylethyl ester |
| 英文同义词 | 3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 3-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-, 1,1-dimethylethyl ester;tert-Butyl 3-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 3-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl;4-(8-Boc-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine;3-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester |
| CAS号 | 2454397-98-7 |
| 分子式 | C18H20Cl2FN5O2 |
| 分子量 | 428.29 |
| EINECS号 | |
| 相关类别 | |
| Mol文件 | 2454397-98-7.mol |
| 结构式 | ![3-(2,7-二氯-8-氟吡啶并[4,3-D]嘧啶-4-基)-3,8-二氮杂双环[3.2.1]辛烷-8-羧酸叔丁酯 结构式](CAS/20210111/GIF/2454397-98-7.gif) |
3-(2,7-二氯-8-氟吡啶并[4,3-D]嘧啶-4-基)-3,8-二氮杂双环[3.2.1]辛烷-8-羧酸叔丁酯 性质
| 沸点 | 533.3±50.0 °C(Predicted) |
|---|---|
| 密度 | 1.435±0.06 g/cm3(Predicted) |
| 酸度系数(pKa) | 1.31±0.30(Predicted) |
| InChI | InChI=1S/C18H20Cl2FN5O2/c1-18(2,3)28-17(27)26-9-4-5-10(26)8-25(7-9)15-11-6-22-14(19)12(21)13(11)23-16(20)24-15/h6,9-10H,4-5,7-8H2,1-3H3 |
| InChIKey | HZPQHQKQIQDTTN-UHFFFAOYSA-N |
| SMILES | C12N(C(OC(C)(C)C)=O)C(CC1)CN(C1N=C(Cl)N=C3C(F)=C(Cl)N=CC3=1)C2 |