Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-BOC-5-메톡시인돌
1-BOC-5-메톡시인돌 · N-BOC-5-METHOXYINDOLE · 1-Boc-5-methoxyindole · 1-Boc-5-methoxy-1H-indole · 5-Methoxy-1H-indole, N-BOC protected · 5-Methoxy-1H-indole,N-BOCprotected98% · N-(tert-Butoxycarbonyl)-5-methoxyindole · 5-Methoxy-1H-indole, N-BOC protected 98%
식별자 및 물리적 특성
| CAS No. | 99275-47-5 |
|---|---|
| 분자식 | C14H17NO3 |
| 평균 분자량 | 247.294 g/mol |
| 단동위원소 질량 | 247.1208434 g/mol |
| SMILES | COc1ccc2c(ccn2C(=O)OC(C)(C)C)c1 |
| InChIKey | LPSLGTZFBDZNEK-UHFFFAOYSA-N |
| PubChem CID | 11831752 |
| EC No. | 624-821-4 |
| DTXSID | DTXSID00474161 |
| 현지명 | 1-BOC-5-메톡시인돌 |
화학 및 물리적 성질
| 녹는점 | 75-79 °C |
|---|---|
| 끓는 점 | 357.3±34.0 °C(Predicted) |
| 밀도 | 1.10±0.1 g/cm3(Predicted) |
| 저장 조건 | Inert atmosphere,2-8°C |
| 물리적 상태 | solid |
| InChI | InChI=1S/C14H17NO3/c1-14(2,3)18-13(16)15-8-7-10-9-11(17-4)5-6-12(10)15/h5-9H,1-4H3 |
| InChIKey | LPSLGTZFBDZNEK-UHFFFAOYSA-N |
| SMILES | N1(C(OC(C)(C)C)=O)C2=C(C=C(OC)C=C2)C=C1 |
안전 및 규제
| 수질 위해 등급(WGK) | 3 |
|---|---|
| 운송 번호(UN) | UN 2811 6.1/PG 3 |
| 위험 문구(R) | 22-36 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 26 |
| 위험 참고 사항 | Harmful/Irritant/Keep Cold |
| 위험 등급 | Acute Tox. 3 OralEye Irrit. 2 |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
용도
Reactant for preparation of:• ;Asymmetric intramolecular Friedel-Crafts alkylation reaction1• ;Palladium-catalyzed carboaminoxylations with arylboronic acids and TEMPO catalyst2• ;Fluorescent pyrimidopyrimidoindole nucleosides via Suzuki-Miyaura coupling reaction3• ;Novel conformationally restricted β- and γ-amino acids4• ;2-(Indolyl) borates, silanes, and silanols5• ;DNA minor groove alkylating agents as stable amine-based prodrugs designed for tumor-specific release6