2235-46-3

Basic information

• Product Name: N,N-Diethylacetoacetamide
• Synonyms: N,N-Diethylacetoacetamide Lonza quality, 98.0-100.3% (w/w) (T);N,N-Diethylacetoacetamide;N-ACETOACETYLDIETHYLAMINE;N,N-DIETHYLACETOACETAMIDE;N,N-DIETHYL-3-OXOBUTANAMIDE;3-OXOBUTYRIC ACID DIETHYLAMIDE;AKOS BBS-00006457;ACETOACETIC ACID DIETHYLAMIDE
• CAS NO: 2235-46-3
• Molecular Formula: C₈H₁₅NO₂
• Molecular Weight: 157.21
• EINECS: 218-792-3
• Product Categories: Amides;Carbonyl Compounds;Organic Building Blocks
• Mol File: 2235-46-3.mol
• Article Data: 16

Chemical Properties

• Melting Point: -73 °C
• Boiling Point: 76 °C(lit.)
• Flash Point: 94 °C
• Appearance: yellow/
• Density: 0.994 g/mL at 20 °C(lit.)
• Vapor Pressure: 0.0283mmHg at 25°C
• Refractive Index: n20/D 1.471
• Storage Temp.: Store below +30°C.
• PKA: 12.97±0.46(Predicted)
• Explosive Limit: 1%(V)
• Water Solubility: 10g/L at 26℃
• BRN: 636486
• CAS DataBase Reference: N,N-Diethylacetoacetamide(CAS DataBase Reference)
• NIST Chemistry Reference: N,N-Diethylacetoacetamide(2235-46-3)
• EPA Substance Registry System: N,N-Diethylacetoacetamide(2235-46-3)

Safety Data

• Safety Statements: 24/25
• WGK Germany: 3
• RTECS: AK4025000
• TSCA: Yes
• Hazardous Substances Data: 2235-46-3(Hazardous Substances Data)

Usage

Chemical Properties

Clear yellow liquid

Uses

Different sources of media describe the Uses of 2235-46-3 differently. You can refer to the following data:
1. N,N-Diethylacetoacetamide is used as intermediate for the manufacture of insecticides, e.g. phosphamidon Product Data Sheet
2. N,N-Diethylacetoacetamide is an intermediate in the synthesis of Phosphamidon (E/Z mixture) (P353730), an organophosphate insecticide that acts as a cholinesterase inhibitor.
3. N,N-Diethylacetoacetamide is a β-dicarbonyl compound that ?can be used to synthesize potent calcium channel blockers such as 2,6,6-trimethyl-3-diethylaminocarbonyl-4-aryl-5-oxo-1,4,5,6,7,8-hexahydroquinoline derivatives and N,N-diethyl-2,6,6-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide. It can also undergo Michael addition in the presence of bis(2,4-pentanedionato)nickel(II) catalyst.

Flammability and Explosibility

Flammable

InChI:InChI=1/C8H15NO2/c1-4-9(5-2)8(11)6-7(3)10/h4-6H2,1-3H3

Upstream product

• 141-97-9 ethyl acetoacetate 
• 109-89-7 diethylamine 
• 674-82-8 4-methyleneoxetan-2-one 
• 105-45-3 acetoacetic acid methyl ester 
• 1694-31-1 tert-butyl acetoacetate 
• 5394-63-8 2,2,6-trimethyl-4H-1,3-dioxin-4-one 
• 13626-09-0 N,N-Diethyl-<1-triethylsiloxy-vinyl>-acetamid 
• 685-91-6 diethylacetamide 
• 925-90-6 ethylmagnesium bromide 

Downstream Products

• 83305-63-9 2-benzyl-N,N-diethyl-3-oxobutanamide 
• 108841-79-8 2-(2-chloro-benzyl)-acetoacetic acid diethylamide 
• 109245-17-2 (+/-)-6t-diethylcarbamoyl-5-oxo-3-phenyl-cyclohex-3-ene-r-carboxylic acid 
• 108984-44-7 (+/-)-6t-diethylcarbamoyl-5-oxo-3-p-tolyl-cyclohex-3-ene-r-carboxylic acid 
• 16695-57-1 2,2-dichloro-acetoacetic acid diethylamide 
• 15844-87-8 2-chloro-N,N-diethyl-3-oxobutyramide 
• 114479-18-4 N,N-diethyl-3-methyl-1-phenyl-1H-pyrazol-5-amine 
• 671775-92-1 4-(4-cyanophenyl)-N,N-diethyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide 
• 1123669-60-2 C₂₁H₂₅NO₂ 
• 1201003-70-4 2-acetyl-N-N-diethylhex-5-ynamide 

Relevant articles and documents

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NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS

The present invention relates to novel dihydropyridine derivatives of formula (I): as modulators of nuclear receptors selected from androgen receptor and glucocorticoid receptor, to processes for their preparation, to pharmaceutical compositions comprising said compounds and to the use of said for manufacturing a medicament for the treatment of pathological conditions or diseases that can improve by modulation of androgen receptor and/or glucocorticoid receptor, selected from cancer, metastasizing cancers, benign prostate hyperplasia, polycystic ovary syndrome (PCOS), hair loss, hirsutism, acne, hypogonadism, muscle wasting diseases, cachexia, Cushing's syndrome, anti-psychotic drug induced weight gain, obesity, post-traumatic stress disorder and alcoholism.

O -Iodoxybenzoic Acid (IBX)-Iodine Mediated One-Pot Deacylative Sulfonylation of 1,3-Dicarbonyl Compounds: A Synthesis of β-Carbonyl Sulfones

A combination of o-iodoxybenzoic acid (IBX) and a catalytic amount of iodine is found to promote a facile one-pot deacylative sulfonylation reaction of 1,3-dicarbonyl compounds with sodium sulfinates to yield β-carbonyl sulfones. The present method provides the target products bearing a wide variety of functional groups in one step and in good yields.