Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Ethyl 5-aminobenzofuran-2-carboxylate
5-Amino-2-(ethoxycarbonyl)-1-benzofuran, Ethyl 5-amino-1-benzofuran-2-carboxylate · Vilazodone INT 5 · ETHYL 5-AMINOBENZOFURAN-2-CARBOXYLAT · Ethyl 5-aminobenzofuran-2-carboxylate · 5-Amino-2-(ethoxycarbonyl)-1-benzofura · 5-Amino-2-(ethoxycarbonyl)-1-benzofuran · ethyle5-aminobenzo[b]furan-2-carboxylate · Ethyl 5-aminobenzo[b]furan-2-carboxylate
식별자 및 물리적 특성
| CAS No. | 174775-48-5 |
|---|---|
| 분자식 | C11H11NO3 |
| 평균 분자량 | 205.21 g/mol |
| 단동위원소 질량 | 205.07389321 g/mol |
| SMILES | CCOC(=O)c1cc2cc(N)ccc2o1 |
| InChIKey | YFFLLDHEEWSHQG-UHFFFAOYSA-N |
| PubChem CID | 9837138 |
| EC No. | 808-229-5 |
| DTXSID | DTXSID60431558 |
화학 및 물리적 성질
| XLogP | 2.2 |
|---|---|
| 극성 표면적 | 65.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 244 |
| 녹는점 | 54-56°C |
| 끓는 점 | 348.1±22.0 °C(Predicted) |
| 밀도 | 1.258±0.06 g/cm3(Predicted) |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2–8 °C |
| 용해도 | soluble in Chloroform, DMSO |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 3.32±0.10(Predicted) |
| 색상 | 베이지색 |
화학적 성질
Brown Solid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| 관세 코드 | 2932990090 |
| 위험 표시 | Xi |
| 위험 등급 | IRRITANT |
용도
용도
Ethyl 5-aminobenzofuran-2-carboxylate is used as an synthetic intermediate in the preparation of indolebutylpiperazines, a class of dual 5-HT1A receptor agonists and serotonin reuptake inhibitors. Ethyl 5-amino-1-benzofuran-2-carboxylate was also used as a potential radiolabelled analog for melanoma imaging and targeted radiotherapy.