Ethyl 2-Methylacetoacetate 2-甲基乙酰乙酸乙酯
CAS 609-14-3 MFCD00009164
化学结构图
SMILES: CCOC(=O)C(C)C(C)=O
化学属性
| Mol. Formula | CH3COCH(CH3)CO2C2H5 |
|---|---|
| Mol. Weight | 144 |
| Density | 1.019 |
| Boiling Point | 187 |
| Refractive index | 1.4160 to 1.4190 |
| Flash Point | 62°C(lit.) |
| TSCA | Yes |
| Melting Point | -45° |
| Solubility | 不溶 |
| Appearance | α-甲基乙酰乙酸乙酯纯品为无色透明液体，有酯的香味，m.p. -45℃，b.p. 188℃，n 1.4182，相对密度 1.0190，溶于苯、二甲苯，不溶于水。 D 20 |
别名和识别编码
| Chemical Name | Ethyl 2-Methylacetoacetate |
|---|---|
| CAS Number | 609-14-3 |
| Alfabeta Name | ETHYLMETHYLOXOBUTANOATE 23--- |
| MDL Number | MFCD00009164 |
| Synonym | 2-ACETYLPROPIONIC ACID ETHYL ESTER 2-METHYLACETOACETIC ACID ETHYL ESTER 2-Methyl-3-oxo-butanoic Acid Ethyl Ester 2-Methyl-3-oxobutanoic Acid Ethyl Ester 2-Methylacetessigsäure-ethylester 2-Methylacetoacetic Acid Ethyl Ester 2-met ?-Methyl-acetoacetic Acid Ethyl Ester Butanoic acid, 2-methyl-3-oxo-, ethyl ester ETHYL 2-METHYL-AETACETATE Ethyl (+/-)-2-Methylacetoacetate Ethyl (±)-2-methylacetoacetate Ethyl 2-acetylpropionate Ethyl 2-methyl-3-oxobutanoate Ethyl 2-methyl-3-oxobutyrate Ethyl 2-methylacetoacetate Ethyl alpha-methylacetoacetate Ethyl methylacetoacetate Ethyl α-methylacetoacetate Ethyl α-methylacetylacetate Ethyl-(2-methylacetoacetat) {} {} {} {} {} {} {} {} {} {} {Chemicalb {} {} {} {} {} {} {C |
| Beilstein Registry Number | 1071742 |
| PubChem Substance ID | 701 |
| EC Number | 210-179-9 |
| Reaxys-RN | 1071742 |
| Chemical Name Translation | 2-甲基乙酰乙酸乙酯 |
| LabNetwork Molecule ID | LN00008899 |
| InChI | InChI=1S/C7H12O3/c1-4-10-7(9)5(2)6(3)8/h5H,4H2,1-3H3 |
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分类
- {Chemicalbook} 农药中间体: 杀虫剂中间体: 氨基甲酸酯类杀虫剂
- {SNA} Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
- {uni_hamburg} no charge; ester; ketone; racemate; 1fragment
- Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
相关文献及参考
- Beil. 3 ,IV,1573
- Aldrich MSDS 1 , 921:A / Corp MSDS 1 (1), 1635:C / FT-IR 2 (1), 1150:D / FT-IR 1 (1), 688:D / IR-Spectra (3), 402:D / IR-Spectra (2), 355:F / NMR-Reference 2 (1), 579:C / RegBook 1 (1), 787:B / Structure Index 1 , 122:D:9 / Vapor Phase 3 , 743:D
- Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
- Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: G
安全信息
GHS Symbol
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- 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。
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- 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。
- P305+P351+P338
- P305+P351+P338+P337+P313
- P332+P313
- P370+P378
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- H227 Combustible liquid 可燃液体
其他信息
- 下游产品:5，6-二甲基-2-氨基-4-羟基嘧啶 --> 甲基伞形酮 --> 5-苄氧基吲哚-2-甲酸乙酯
- MOL 文件:609-14-3.mol
- MSDS 信息:2-Methylacetoacetic acid ethyl ester(609-14-3).msds
- TCI Shanghai:2-甲基乙酰乙酸乙酯 Ethyl 2-Methylacetoacetate,>;96.0%(GC)(609-14-3)
- 方法一:α-甲基乙酰乙酸乙酯是由乙酰乙酸乙酯与硫酸二甲酯反应制得。 在搪玻璃反应釜中预先加入二甲苯、乙酰乙酸乙酯、硫酸二甲酯和相转移催化剂，搅拌，缓缓加入氢氧化钠溶液，控制反应温度不超过40℃，加毕继续搅拌1.5h，控制pH=8～9，然后静止1h，分出水层，再加水洗至水溶液呈中性，静置，分出水层(送三废处理)，二甲苯溶液在减压下脱水，浓缩至含乳甲基乙酰乙酸乙酯含量为35％～40％即可停止浓缩，得乳甲基乙酰乙酸乙酯二甲苯溶液，再脱溶即得产品。 α-甲基乙酰乙酸乙酯还可由乙酰乙酸乙酯、碳酸钾与碘甲烷在一定条件下以固液相烃化反应制得。
- 用途一:用作医药及农药的中间体
- Acros Organics:2-甲基乙酰乙酸乙酯 Ethyl 2-methylacetoacetate, 98%(609-14-3)
- Sigma Aldrich:609-14-3(sigmaaldrich)
- 2-甲基乙酰乙酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0698 2-甲基乙酰乙酸乙酯 Ethyl 2-Methylacetoacetate 25ML 404元 2014/06/02 M0698 2-甲基乙酰乙酸乙酯 Ethyl 2-Methylacetoacetate 250ML 2140元 2010/06/21 326111000 2-甲基乙酰乙酸乙酯 Ethyl 2-methylacetoacetate 95% 100 GR 1258元
- Alfa Aesar:2-甲基乙酰乙酸乙酯,97% Ethyl 2-methylacetoacetate, 97%(609-14-3)
- 用途二:α-甲基乙酰乙酸乙酯是制备农药抗蚜威的中间体。
- 图谱信息:2-甲基乙酰乙酸乙酯(609-14-3)红外图谱(IR1) 2-甲基乙酰乙酸乙酯(609-14-3)质谱(MS) 2-甲基乙酰乙酸乙酯(609-14-3)核磁图( 13 CNMR)
- 上游原料:氢氧化钠 --> 硫酸二甲酯 --> 碘甲烷 --> 乙酰乙酸乙酯 --> 搪玻璃反应釜
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