Acetoacetamide, N,N-diethyl- N,N-二乙基乙酰乙酰胺

CAS 2235-46-3 MFCD00026728

化学结构图

2235-46-3
SMILES: CCN(CC)C(=O)CC(C)=O

化学属性

Mol. FormulaC8H15NO2
Mol. Weight157.2102
Density0.994 g/mL at 20 °C(lit.)
Boiling Point76 °C at 760 mmHg
Refractive index1.4690 to 1.4720
Flash Point120°C(lit.)
TSCAYes
Melting Point-73 °C
Appearance N,N-二乙基乙酰乙酰胺(2235-46-3)为浅棕红色液体。沸点98-100℃，相对密度0.900-0.986（20/21℃）。

别名和识别编码

Chemical NameN,N-Diethylacetoacetamide
Synonym N,N-Diethylacetoacetamide {LY} N,N-Diethylacetoacetamide {} {LY} N,N-Diethylacetoacetamide {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {} {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {} {} {} {} {}
CAS Number2235-46-3
EC Number218-792-3
Beilstein Registry Number4(4)409
MDL NumberMFCD00026728
PubChem Substance ID16699
Chemical Name TranslationN,N-二乙基乙酰乙酰胺
Reaxys-RN636486
Wiswesser Line Notation2N2&V1V1
LabNetwork Molecule IDLN01269637
Canonical SMILESO=C(N(CC)CC)CC(C)=O
InChIInChI=1S/C8H15NO2/c1-4-9(5-2)8(11)6-7(3)10/h4-6H2,1-3H3
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分类

  • {SNA} Amides, Building Blocks, C8 to C20+, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; amide; ketone; 1fragment
  • {SA} Amides, Building Blocks, C8 to C20+, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {Chemicalbook} 农药中间体: 杀虫剂中间体: 有机磷类杀虫剂

相关文献及参考

  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: IV/6 Title: Static Dielectric Constants of Pure Liquids and Binary Liquid Mixtures Author: Wohlfarth, Ch. Editor: Madelung, O. Source: Landolt-Börnstein, New Series Volume: IV/6 Year: 1991 Keyword: organic compounds; dielectric constant; liquids; mixtures ISBN: 3-540-54417-8 ISBN: 978-3-540-54417-3 Internet Resource: DOI:10.1007/b44266 RefComment: VIII, 521 pages.

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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
  • 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。
  • 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）。
  • 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.....
RTECSAK4025000
Personal Protective Equipment Eyeshields, Gloves
Hazard statements
  • 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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4760 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   23,95,1962

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 用途一:本品为农药中间体，用于合成杀虫剂磷胺的中间体α，α-二氯代-N，N-二乙基乙酰乙酰胺。
  • 方法二:将定量的二乙胺投入反应锅。开动搅拌，在40-45℃下，滴加双乙烯酮。加毕，在45±5℃保温1h，即得纯度在92%以上的乙酰乙酰二乙胺。配料比(摩尔比)为双乙烯酮：二乙胺=1：1.05。原料消耗定额：二乙胺（95%）478kg/t、双乙烯酮（92%）525kg/t。
  • 用途二:农药中间体，主要用于制取农药磷胺。
  • TCI Shanghai:N,N-二乙基乙酰乙酰胺 N,N-Diethylacetoacetamide,>;95.0%(GC)(2235-46-3)
  • N,N-二乙基乙酰乙酰胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D1371 N,N-二乙基乙酰乙酰胺 N,N-Diethylacetoacetamide 500G 1080元 2014/06/02 D1371 N,N-二乙基乙酰乙酰胺 N,N-Diethylacetoacetamide 25G 157元 2010/05/25 B24019 N,N-二乙基乙酰酮乙酰胺, 97% N,N-Diethylacetoacetamide, 97% 50g 255元
  • color:yellow
  • MOL 文件:2235-46-3.mol
  • Alfa Aesar:N,N-二乙基乙酰酮乙酰胺,97% N,N-Diethylacetoacetamide, 97%(2235-46-3)
  • 下游产品:Α,Α-二氯代-N,N-二乙基乙酰乙酰胺
  • Sigma Aldrich:2235-46-3(sigmaaldrich)
  • 上游原料:盐酸 --> 二氯甲烷 --> 氧氯化硫 --> 乙酰乙酸乙酯 --> 二乙胺 --> 甲基叔丁基醚 --> 二乙烯酮
  • 图谱信息:N,N-二乙基乙酰乙酰胺(2235-46-3)核磁图( 1 HNMR) N,N-二乙基乙酰乙酰胺(2235-46-3)核磁图( 13 CNMR) N,N-二乙基乙酰乙酰胺(2235-46-3)质谱(MS) N,N-二乙基乙酰乙酰胺(2235-46-3)红外图谱(IR1) N,N-二乙基乙酰乙酰胺(2235-46-3)红外图谱(IR2)
  • 方法一:其制备方法是由双乙烯酮与二乙胺缩合而得。 按投料比为双乙烯酮∶二乙胺=1∶1.05(摩尔比)，将定量的二乙胺投入反应锅，开动搅拌，有40～45℃下滴加双乙烯酮。加毕，在(45±5)℃保温1h，即得含量在92％以上的乙酰乙酰二乙胺。

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. Amides - Carbonyl Compounds
  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. Amides - Carbonyl Compounds
  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. Amides - Carbonyl Compounds
  6. C8 to C20+ - Amides

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