Ethyl Isocyanoacetate 异氰基乙酸乙酯
CAS 2999-46-4 MFCD00000007
化学结构图
SMILES: [C-]#[N+]CC(=O)OCC
化学属性
| Mol. Formula | C₅H₇NO₂ |
|---|---|
| Mol. Weight | 113.11 |
| Refractive index | 1.4160 to 1.4190 |
| Density | 1.035 |
| Boiling Point | 194-196 |
| Flash Point | 84°C(lit.) |
| TSCA | No |
| Solubility | 微溶于水、碱液，可混溶于乙醇、乙醚。 |
别名和识别编码
| Chemical Name | Ethyl Isocyanoacetate |
|---|---|
| MDL Number | MFCD00000007 |
| CAS Number | 2999-46-4 |
| Reaxys-RN | 1931044 |
| PubChem Substance ID | 533707 |
| EC Number | 221-077-9 |
| Beilstein Registry Number | 3588613 |
| Synonym | (2-Oxo-2-ethoxyethyl) isocyanide BIO-FARMA BF001872 ETHYL ISOCYANOACETATE Ethoxycarbonylmethyl isocyanide Ethyl 2-isocyanoacetate Ethyl Isocyanoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemicalbook} ISOCYANOACETIC ACID ETHYL ESTER {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemicalbook} HANSA ISN-0528 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemicalbook} Ethylisocyanoacetate,98% 乙基异氰酸乙酯 异氰乙酸乙酯 异氰基乙酸乙酯 异氰基乙酸乙酯; 异氰乙酸乙酯 |
| Alfabeta Name | ETHYLISOCYANOACETATE |
| Chemical Name Translation | 异氰基乙酸乙酯 |
| InChIKey | FPULFENIJDPZBX-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00182014 |
| InChI | InChI=1S/C5H7NO2/c1-3-8-5(7)4-6-2/h3-4H2,1H3 |
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分类
- Building Blocks, Chemical Synthesis, Isocyanides, Nitrogen Compounds, Organic Building Blocks
- {SNA} Building Blocks, Chemical Synthesis, Isocyanides, Nitrogen Compounds, Organic Building Blocks
相关文献及参考
- 5. Tetrahedron Lett. 47 , 5481, (2006)
- 3. Tetrahedron Lett. 34 , 5463, (1993)
- Base-catalyzed Michael addition to nitroalkenes provides a route to substituted pyrroles, valuable as intermediates for porphyrin synthesis: J. Chem. Soc., Chem. Commun., 1098 (1985); Tetrahedron, 46, 7483, 7587 (1990); Org. Synth. Coll., 9, 242 (1998).
- The method has been extended to nitroaromatics, leading to pyrroles and porphyrins fused with aromatic rings: J. Chem. Soc., Perkin 1, 417 (1996).
- Beil. 4 ,IV,2428
- The terminal carbon also undergoes nucleophilic attack on an acyl chloride to give an ɑ-keto imidoyl chloride, which cyclizes in base to a 2-acyl-5-ethoxy oxazole: Synth. Commun., 26, 1149 (1996).
安全信息
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P305+P351+P338
- P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
- P332+P313
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- P370+P378
- P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- P337+P313
- P304+P340+P311
- P403+P233
- H302+H332
- H332 Harmful if inhaled 吸入有害
- H302 Harmful if swallowed 吞食有害
- H227 Combustible liquid 可燃液体
GHS Symbol
- R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
- R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
其他信息
- 下游产品:5-苯基-1,3-氧唑-4-羰酰氯
- MOL 文件:2999-46-4.mol
- Sigma Aldrich:2999-46-4(sigmaaldrich)
- Acros Organics:异氰基乙酸乙酯 Ethyl isocyanoacetate, 97%(2999-46-4)
- 异氰基乙酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0562 异氰基乙酸乙酯 Ethyl Isocyanoacetate 5G 630元 2014/06/02 I0562 异氰基乙酸乙酯 Ethyl Isocyanoacetate 25G 2220元 2010/06/21 299550250 异氰基乙酸乙酯 Ethyl isocyanoacetate 97% 25 GR 3997元
- 外观性质:浅黄色液体。
- F:8-9-21
- 敏感性:Moisture & Light Sensitive
- TCI Shanghai:异氰基乙酸乙酯 Ethyl Isocyanoacetate,>;95.0%(GC)(2999-46-4)
- MSDS 信息:异氰乙酸乙酯(2999-46-4).msds
- 用途一:有机合成、医药合成中间体，可用于合成flumazenil(氟吗西尼/氟马西尼)。
- Alfa Aesar:异氰乙酸乙酯,98% Ethyl isocyanoacetate, 98%(2999-46-4)
- 图谱信息:异氰基乙酸乙酯(2999-46-4)质谱(MS) 异氰基乙酸乙酯(2999-46-4)红外图谱(IR1) 异氰基乙酸乙酯(2999-46-4)核磁图( 13 CNMR)
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