10-METHYL-9(10H)-아크리돈
10-METHYL-9(10H)-아크리돈 · N-METHYLACRIDONE · 10-Methylacridone · 10-methylacridin-9(10H)-one · NSC 1189 · NSC 54142 · Methylacridone · AURORA KA-3718
식별자 및 물리적 특성
| CAS No. | 719-54-0 |
|---|---|
| 분자식 | C14H11NO |
| 평균 분자량 | 209.24 g/mol |
| 단동위원소 질량 | 209.08406397 g/mol |
| SMILES | Cn1c2ccccc2c(=O)c2ccccc21 |
| InChIKey | XUVKSPPGPPFPQN-UHFFFAOYSA-N |
| PubChem CID | 69751 |
| ChEMBL | CHEMBL1288901 |
| ChEBI | CHEBI:177529 |
| EC No. | 211-948-1 |
| DTXSID | DTXSID50222159 |
| 현지명 | 10-METHYL-9(10H)-아크리돈 |
화학 및 물리적 성질
| XLogP | 3.1 |
|---|---|
| 극성 표면적 | 20.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 262 |
| SpringerMaterials Properties | Chemical shift |
| 녹는점 | 199 - 200 °C204-207 °C |
| Physical Description | Solid |
| 끓는 점 | 348.61°C (rough estimate) |
| 밀도 | 1.0966 (rough estimate) |
| 굴절률 | 1.5780 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 메탄올(약간)에 용해됨 |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | -1.57±0.20(Predicted) |
| 색상 | 노란색 |
| InChIKey | XUVKSPPGPPFPQN-UHFFFAOYSA-N |
화학적 성질
LIGHT GREEN TO GREY-GREEN FINE CRYSTALLINE POWDER
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 관세 코드 | 29339980 |
| 안전 문구(S) | 24/25 |
용도
용도
10-Methyl-9(10H)-acridinone is an intermediate in the synthesis of 9-Mesityl-10-methylacridinium Tetrafluoroborate (M258620). 9-Mesityl-10-methylacridinium Tetrafluoroborate can be used for the synthesis ofγ-butyrolactones, γ-lactams and pyrrolidines and also it has been reported by Nicewicz et al. to mediate myriad transformations through Photoredox Catalysis. The applications include the anti-Markovnikov hydroamination of alkenes and addition of carboxylic acids to alkenes and the hydrotrifluoromethylation of styrenes using the Langlois reagent S673690.