Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydro-1H-pyrrole-1-carboxylate
TERT-BUTYL 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXYLATE · tert-butyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydro-1H-pyrrole-1-carboxylate · (containing ca. 50% 4,5-dihydro isomer) · 1-Boc-2,5-dihydropyrrole-3-boronic Acid Pinacol Ester · 1-Boc-2,5-Dihydro-1H-pyrrole-3-boronic acid pinacol ester · tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl · N-Boc-2,5-Dihydro-1H-pyrrole-3-boronic acid pinacol ester · (1-(TERT-BUTOXYCARBONYL)-2,5-DIHYDRO-1H-PYRROL-3-YL)BORONIC ACID PINACOL ESTER
식별자 및 물리적 특성
| CAS No. | 212127-83-8 |
|---|---|
| 분자식 | C15H26BNO4 |
| 평균 분자량 | 295.18 g/mol |
| 단동위원소 질량 | 295.1954885 g/mol |
| SMILES | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)C1 |
| InChIKey | OIZXJJIHVIYNKZ-UHFFFAOYSA-N |
| PubChem CID | 15836637 |
| DTXSID | DTXSID90578748 |
화학 및 물리적 성질
| 극성 표면적 | 48 |
|---|---|
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 21 |
| 형식 전하 | 0 |
| 복잡도 | 449 |
| 끓는 점 | 330.5±52.0 °C(Predicted) |
| 밀도 | 1.06±0.1 g/cm3(Predicted) |
| 저장 조건 | Inert atmosphere,Store in freezer, under -20°C |
| pKa(산도 계수) | -1.18±0.40(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 황백색에서 밝은 노란색까지 |
| InChI | InChI=1S/C15H26BNO4/c1-13(2,3)19-12(18)17-9-8-11(10-17)16-20-14(4,5)15(6,7)21-16/h8H,9-10H2,1-7H3 |
| InChIKey | OIZXJJIHVIYNKZ-UHFFFAOYSA-N |
| SMILES | N1(C(OC(C)(C)C)=O)CC=C(B2OC(C)(C)C(C)(C)O2)C1 |
안전 및 규제
| 관세 코드 | 2933998090 |
|---|
용도
용도
1-Boc-2,5-Dihydro-1H-pyrrole-3-boronic acid, pinacol ester can be used in the synthesis of series of kinase inhibitors.