N-Methylphthalimide
2-Methylisoindoline-1,3-dione · METHYL PHTHALIMIDE · T56 BVNVJ C1 · n-methyl-phthalimid · N-METHYLPHTHALIMIDE · PHTHALIMIDE-N-METHYL · N-Methylphthalimide>Methylisoindolinedione · Rivaroxaban Impurity 20
식별자 및 물리적 특성
| CAS No. | 550-44-7 |
|---|---|
| 분자식 | C9H7NO2 |
| 평균 분자량 | 161.16 g/mol |
| 단동위원소 질량 | 161.04767846 g/mol |
| SMILES | CN1C(=O)c2ccccc2C1=O |
| InChIKey | ZXLYYQUMYFHCLQ-UHFFFAOYSA-N |
| PubChem CID | 11074 |
| ChEMBL | CHEMBL172614 |
| EC No. | 208-982-4 |
| DTXSID | DTXSID5027198 |
화학 및 물리적 성질
| XLogP | 1.3 |
|---|---|
| 극성 표면적 | 37.4 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 213 |
| SpringerMaterials Properties | Chemical shift |
| LogP(분배 계수) | 1.31 |
| Physical Description | Dry Powder |
| Collision Cross Section | 129.0 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID5027198] |
| 녹는점 | 129-132 °C (lit.) |
| 끓는 점 | 286.05°C |
| 밀도 | 1.2443 (rough estimate) |
| 굴절률 | 1.4500 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | DMSO(약간 용해됨), 메탄올(약간 용해됨) |
| pKa(산도 계수) | -2.09±0.20(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 흰색에서 황백색까지 |
| BRN | 124428 |
| InChI | InChI=1S/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3 |
| InChIKey | ZXLYYQUMYFHCLQ-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=CC=C2)C(=O)N1C |
| NIST | 1H-Isoindole-1,3(2H)-dione, 2-methyl-(550-44-7) |
| EPA | 1H-Isoindole-1,3(2H)-dione, 2-methyl- (550-44-7) |
화학적 성질
White powder
안전 및 규제
| GHS 분류 | WarningH315 (98.6%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 71 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | 1H-Isoindole-1,3(2H)-dione, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Isoindole-1,3(2H)-dione, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711) |
| Hazard Classes and Categories | Skin Irrit. 2 (98.6%) |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | TI5602700 |
| 관세 코드 | 29251900 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 위험 등급 | IRRITANT |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Photoreduction of N-methylphthalimide (NMP) with 2,3-dimethyl-2-butene h and the selective electroreduction of N-methylphthalimide to 3-hydroxy-2-methyl-isoindolin-1-one have been studied.
일반 설명
Photoreduction of N-methylphthalimide (NMP) with 2,3-dimethyl-2-butene has been studied. The selective electroreduction of N-methylphthalimide to 3-hydroxy-2-methyl-isoindolin-1-one in ionic liquids and phenol as a proton donor under silent and ultrasonic conditions has been reported. Single electron transfer (SET)-induced photochemical reaction of NMP with silyl enol ether has been investigated. Nitration of NMP is reported to afford “exclusively” 3-nitro-derivative.