Ethyl Isocyanoacetate 异氰基乙酸乙酯

CAS 2999-46-4 MFCD00000007

化学结构图

2999-46-4
SMILES: [C-]#[N+]CC(=O)OCC

化学属性

Mol. FormulaC5H7NO2
Mol. Weight113.11
Refractive index1.4160 to 1.4190
Density1.035
Boiling Point194-196
Flash Point84°C(lit.)
TSCANo
Solubility微溶于水、碱液，可混溶于乙醇、乙醚。

别名和识别编码

Chemical NameEthyl Isocyanoacetate
MDL NumberMFCD00000007
CAS Number2999-46-4
Reaxys-RN1931044
PubChem Substance ID533707
EC Number221-077-9
Beilstein Registry Number3588613
Synonym (2-Oxo-2-ethoxyethyl) isocyanide BIO-FARMA BF001872 ETHYL ISOCYANOACETATE Ethoxycarbonylmethyl isocyanide Ethyl 2-isocyanoacetate Ethyl Isocyanoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Alfabeta NameETHYLISOCYANOACETATE
Chemical Name Translation异氰基乙酸乙酯
InChIKeyFPULFENIJDPZBX-UHFFFAOYSA-N
LabNetwork Molecule IDLN00182014
InChIInChI=1S/C5H7NO2/c1-3-8-5(7)4-6-2/h3-4H2,1H3
Canonical SMILESO=C(C[N+]#[C-])OCC
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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

UN Number UN2810
Signal word
Precautionary statements
  • 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
Storage condition +4°C +4℃ 0-10 0-10°C 2-8°C 4 4℃ Moisture & Light Sensitive
Hazard statements
  • 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
WGK Germany3
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Risk Statements
  • 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
Hazard Codes Xn
Packing GroupIII
Safety Statements
Warnings 危化品目录(2015) IRRITANT
Hazard Class6.1
Restrict 危险品

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)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Isocyanates - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Isocyanides - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Isocyanates
  1. Functional Group 官能团索引
  2. isonitrile

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