Diethyl 2-Acetamidomalonate 乙酰氨基丙二酸二乙酯

CAS 1068-90-2 MFCD00009146

化学结构图

1068-90-2
SMILES: CCOC(=O)C(NC(C)=O)C(=O)OCC

化学属性

Mol. FormulaC9H15NO5
Mol. Weight217.22
Density1.141
Boiling Point311.4°C at 760 mmHg
Melting Point93-96°C
TSCAYes
Solubility溶于热醇，微溶于醚和热水。
Flash Point185°C/20mm

别名和识别编码

Chemical NameDiethyl 2-Acetamidomalonate
CAS Number1068-90-2
Alfabeta NameDIETHYLACETYLAMINOMALONATE ()
MDL NumberMFCD00009146
EC Number213-952-9
Beilstein Registry Number4(2)891
Synonym Diethyl acetamidomalonate {LY} Diethyl acetamidomalonate {} {LY} Diethyl acetamidomalonate {} {} {LY} Diethyl acetamidomalonate {} {} {} {LY} Diethyl acetamidomalonate {} {} {} {} {LY} Diethyl acetamidomalonate {} {} {} {} {} { {} {} {} {} {} {LY} Diethyl acetamidomalonate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl acetamidomalonate {} {} {} {} {} {} {} {LY} Diethyl acetamidomalonate {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} Diethyl acetamidomalonate {} {} {} {} {} {} {} {} {} {LY} Diethyl acetamidomalonate {} {} {} {} {} {} {} {} {} {} {LY} Diethyl acetamidomalonate {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl acetamidomalonate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl acetamidomalonate {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl acetamidomalonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl acetamidomalonate {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID14041
Reaxys-RN783883
Chemical Name Translation乙酰氨基丙二酸二乙酯
Wiswesser Line Notation2OVYVO2&MV1
LabNetwork Molecule IDLN00158188
InChIInChI=1S/C9H15NO5/c1-4-14-8(12)7(10-6(3)11)9(13)15-5-2/h7H,4-5H2,1-3H3,(H,10,11)
Canonical SMILESO=C(OCC)C(NC(C)=O)C(OCC)=O
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分类

  • {SNA} Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

  • Intermediate for synthesis of racemic amino acids, by reaction with an electrophile, e.g alkyl halide, followed by hydrolysis and decarboxylation. The reactivity can be reversed by conversion to the dehydro-derivative, which then undergoes nucleophilic attack with alkyllithiums, Grignards, malonate anion, etc.: Angew. Chem. Int. Ed., 21, 203 (1982):
  • Substituents can also be introduced by Michael addition to a wide variety of acceptors: Synth. Commun., 18, 367 (1988).
  • For use in a novel pyrrole synthesis, see 1,4-Dichloro-2-butyne, A13300.
  • Beilstein:4(2)891
  • Compare also Diethyl­ formamidomalonate, L01189.

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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。
  • 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。
  • 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。
  • P301+P312
  • P301+P317
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
RTECSOO0360000
Hazard Codes Xi
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H303 May be harmfully swallowed 吞食可能有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Storage condition 2-8°C {LY} 2-8°C Store at RT. Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 可燃性危险特性:可燃;加热分解释放有毒氮氧化物烟雾
  • 乙酰氨基丙二酸二乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010305 乙酰氨基丙二酸二乙酯 100g 200元 2011/04/16 A0015 乙酰氨基丙二酸二乙酯 Diethyl Acetamidomalonate 500G 1930元 2011/04/16 A0015 乙酰氨基丙二酸二乙酯 Diethyl Acetamidomalonate 25G 225元
  • MOL 文件:1068-90-2.mol
  • Acros Organics:乙酰氨基丙二酸二乙酯 Diethyl acetamidomalonate, 99+%(1068-90-2)
  • 储运特性:库房通风低温干燥
  • 用途三:1068-90-2（乙酰氨基丙二酸二乙酯）可用于合成盐酸去甲基氯林可霉素（Lincomycin U-21729A）、林可霉素（Lincomycin）、戊基氯可霉素（Mirincarmycin）和林可霉素磷酸酯等。
  • 下游产品:(乙酰氨基){[2-((双(2-羟乙基)氨基)甲基)-5-硝基苯基]甲基}丙二酸二乙酯 --> 瑞巴派特 --> (乙酰氨基){[2-((双(2-氯乙基)氨基)甲基)-5-硝基苯基]甲基}丙二酸二乙酯
  • Sigma Aldrich:1068-90-2(sigmaaldrich)
  • TCI Shanghai:乙酰氨基丙二酸二乙酯 Diethyl Acetamidomalonate,>;98.0%(GC)(1068-90-2)
  • 灭火剂:干粉、泡沫、砂土和水
  • MSDS 信息:Acetamidomalonic acid diethyl ester(1068-90-2).msds
  • 方法一:由丙二酸二乙酯经亚硝化、还原、乙酰化而得。
  • 不溶于水，溶于醇。
  • 用途一:用于医药工业，也用作色氨酸中间体
  • 用途二:用于α-氨基酸的合成，如作为色氨酸和消痛芥等的中间体。烷基化反应是合成氨基酸的关键反应之一，当该品与等摩尔氯苄混合，添加溴化四丁铵、碘化钠和粉状碳酸钾，于100℃搅拌5h时，冷却，过滤，水洗，干燥，得苄基乙酰氨基丙二酸二乙酯，收率92%。
  • Alfa Aesar:乙酰胺基丙二酸二乙酯,98+% Diethyl acetamidomalonate, 98+%(1068-90-2)
  • 刺激数据:眼睛-兔子 500 毫克/24小时 轻度
  • 图谱信息:乙酰氨基丙二酸二乙酯(1068-90-2)红外图谱(IR2) 乙酰氨基丙二酸二乙酯(1068-90-2)核磁图( 13 CNMR) 乙酰氨基丙二酸二乙酯(1068-90-2)质谱(MS) 乙酰氨基丙二酸二乙酯(1068-90-2)Raman光谱 乙酰氨基丙二酸二乙酯(1068-90-2)核磁图( 1 HNMR) 乙酰氨基丙二酸二乙酯(1068-90-2)红外图谱(IR1)
  • 海关编码:29241900
  • 外观:白色结晶
  • 类别:有毒物品

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. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C8 to C9 - Esters
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C8 to C9 - Esters
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters
  6. C6 to C7

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