4-Amino-3-penten-2-one

Base Information

• Chemical Name: 4-Amino-3-penten-2-one
• CAS No.: 1118-66-7
• Molecular Formula: C5H9NO
• Molecular Weight: 99.1326
• Hs Code.: 29223990
• European Community (EC) Number: 627-905-9
• DSSTox Substance ID: DTXSID101314617
• Nikkaji Number: J1.537.000I,J1.537.001G,J2.167.625J
• Wikidata: Q27122714
• Mol file: 1118-66-7.mol

Synonyms:1-Acetyl-2-amino-1-propene;2-Acetyl-1-amino-1-methylethylene;2-Amino-2-penten-4-one;2-Amino-2-pentene-4-one;2-Amino-4-oxo-2-pentene;Acetylacetonamine;Fluoral P;NSC 44500;

Chemical Property of 4-Amino-3-penten-2-one

Chemical Property:

• Appearance/Colour: Yellow to brown crystalline solid
• Vapor Pressure: 0.959mmHg at 25°C
• Melting Point: 38 °C
• Refractive Index: 1.457
• Boiling Point: 179.1 °C at 760 mmHg
• PKA: 5.93±0.70(Predicted)
• Flash Point: 62.1 °C
• PSA: 43.09000
• Density: 0.941 g/cm³
• LogP: 1.13820
• Storage Temp.: 0-6°C
• Water Solubility.: Insoluble
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 99.068413911
• Heavy Atom Count: 7
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

4-Aminopent-3-en-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 36/37/39-26-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=CC(=O)C)N

Technology Process of 4-Amino-3-penten-2-one

There total 54 articles about 4-Amino-3-penten-2-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

acetylacetone (123-54-6,81235-32-7) → 4-Aminopent-3-en-2-one (1118-66-7)

Guidance literature:

With ammonia; In water; at 20 ℃;

Reference yield: 100.0%

3,5-dimethyl-1,2-oxazole (300-87-8) → 4-Aminopent-3-en-2-one (1118-66-7)

Guidance literature:

With methylmagnesium bromide; In diethyl ether; benzene; for 5h; Heating;

DOI:10.3987/COM-89-S86

Reference yield: 99.0%

acetylacetone (123-54-6,81235-32-7) → 4-amino-3-penten-2-one (1118-66-7)

Guidance literature:

With ammonium carbamate; In dichloromethane; at 20 ℃; for 12h;

upstream raw materials:

acetylacetone

3,5-dimethyl-1,2-oxazole

4-<(aminocarbonyl)imino>-2-penten-2-ol

CYANAMID

Downstream raw materials:

1-(2-methylpyridin-3-yl)ethanone

1-(2,6-dimethylpyridin-3-yl)ethan-1-one

2-hydroxy-4,6-dimethyl-nicotinic acid amide

3-acetyl-2-methyl-4-(4-nitro-phenyl)-1,4-dihydro-indeno[1,2-b]pyridin-5-one