Methyl 2-acetamidoacrylate
Methyl 2-(acetylamino)acrylate · methyl 2-acetamidoprop-2-enoate · ac-dl-dha-ome · METHYL 2-ACETAMIDOACRYLATE · 2-Acetamidomethyl acrylate · Methyl 2-acetamidoacrylate 98% · Methyl 2-Acetamidoacrylate >Methyl 2-acetamidoacrylate-99% · Methyl 2-(acetylamino)propenoate
식별자 및 물리적 특성
| CAS No. | 35356-70-8 |
|---|---|
| 분자식 | C6H9NO3 |
| 평균 분자량 | 143.14 g/mol |
| 단동위원소 질량 | 143.05824315 g/mol |
| SMILES | C=C(NC(C)=O)C(=O)OC |
| InChIKey | SMWNFFKPVLVOQQ-UHFFFAOYSA-N |
| PubChem CID | 98644 |
| ChEMBL | CHEMBL4868054 |
| EC No. | 609-121-9 |
| DTXSID | DTXSID70188849 |
화학 및 물리적 성질
| XLogP | 0.1 |
|---|---|
| 극성 표면적 | 55.4 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 174 |
| 녹는점 | 50-52 °C (lit.) |
| 끓는 점 | 104 °C/8 mmHg (lit.) |
| 밀도 | 1.3075 (rough estimate) |
| 굴절률 | 1.4340 (estimate) |
| 인화점 | >230 °F |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2-8°C |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 13.12±0.46(Predicted) |
| 색상 | 회백색 |
| BRN | 1812208 |
| InChI | InChI=1S/C6H9NO3/c1-4(6(9)10-3)7-5(2)8/h1H2,2-3H3,(H,7,8) |
| InChIKey | SMWNFFKPVLVOQQ-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C(NC(C)=O)=C |
안전 및 규제
| GHS 분류 | WarningH315 (100%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29241990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-37/39 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Methyl 2-acetamidoacrylate exhibits anti-inflammatory property and decreases induced acute kidney injury in mice.
일반 설명
Conjugated addition of secondary amines, imidazole and pyrazole to methyl 2 methyl 2-acetamidoacrylate in the presence of a catalyst results in the formation of β-Dialkylamino-α-alanine and β-(N-heteroaryl)-α-alanine derivatives. Methyl-2-acetamidoacrylate (M2AA) is an anti-inflammatory agent. The catalytic reaction of methyl 2-acetamidoacrylate with Grignard′s reagents affords α-amino esters. M2AA can form thermosensitive copolymers with methyl acrylate.