2-oxopropanal N-phenylhydrazone

Base Information

• Chemical Name: 2-oxopropanal N-phenylhydrazone
• CAS No.: 5391-74-2
• Molecular Formula: C9H10N2O
• Molecular Weight: 162.191
• Hs Code.: 2928000090
• European Community (EC) Number: 637-268-9
• NSC Number: 3196
• DSSTox Substance ID: DTXSID00420845
• ChEMBL ID: CHEMBL3196793
• Mol file: 5391-74-2.mol

Synonyms:5391-74-2;2-oxopropanal N-phenylhydrazone;1-(2-Phenylhydrazono)propan-2-one;(1E)-1-(phenylhydrazinylidene)propan-2-one;(1E)-1-(2-phenylhydrazin-1-ylidene)propan-2-one;27843-96-5;2-oxopropanal phenylhydrazone;NSC3196;(1E)-2-oxopropanal phenylhydrazone;MLS000327675;SCHEMBL1144416;CHEMBL3196793;DTXSID00420845;Pyruvaldehyde, 1-(phenylhydrazone);CBA84396;NSC-3196;MFCD00026242;STL290519;AKOS005090465;4L-327S;(E)-1-(2-phenylhydrazono)propan-2-one;SMR000180713;CS-0320564;(1E)-1-(2-phenylhydrazinylidene)propan-2-one;(1E)-1-(phenyl-hydrazinylidene)-propan-2-one;A829831;(1E)-1-(phenylhydrazono)propan-2-one

Chemical Property of 2-oxopropanal N-phenylhydrazone

Chemical Property:

• Vapor Pressure: 0.00839mmHg at 25°C
• Melting Point: 151-152 °C
• Boiling Point: 266.9°Cat760mmHg
• PKA: 9.20±0.10(Predicted)
• Flash Point: 115.2°C
• PSA: 41.46000
• Density: 1.04g/cm³
• LogP: 1.74630
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 162.079312947
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

98%min ^*data from raw suppliers

2-OxopropanalN-Phenylhydrazone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C=NNC1=CC=CC=C1
• Isomeric SMILES: CC(=O)/C=N/NC1=CC=CC=C1

Technology Process of 2-oxopropanal N-phenylhydrazone

There total 15 articles about 2-oxopropanal N-phenylhydrazone 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%

phenylhydrazine (100-63-0) + 2-oxopropanal (78-98-8) → 1-(phenylhydrazono)-propan-2-one (5391-74-2)

Guidance literature:

With acetic acid; In water; at 20 ℃;

Reference yield: 82.0%

potassium 3-oxobutanoate (76505-45-8) + aniline (62-53-3) → 1-(phenylhydrazono)-propan-2-one (5391-74-2)

Guidance literature:

aniline; With hydrogenchloride; sodium nitrite; In water; at 0 - 5 ℃; Cooling with ice;

potassium 3-oxobutanoate; With hydrogenchloride; In water; Cooling with ice;

DOI:10.1016/j.ica.2013.06.040

Reference yield: 72.0%

→ 1-(phenylhydrazono)-propan-2-one (5391-74-2)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water; at 0 - 5 ℃; for 0.5h;

With sodium acetate; potassium hydroxide; In water; at 0 - 5 ℃; for 2h;

upstream raw materials:

benzenediazonium

2-acetoacetic acid

sodium acetate

benzene diazonium chloride

Downstream raw materials:

1-piperidino-butane-2,3-dione-2-phenylhydrazone

1,4-bis-(3-oxo-2-phenylhydrazono-butyl)-piperazine

1-morpholin-4-yl-butane-2,3-dione 2-phenylhydrazone

furoin