Propanal, 2-oxo-, 1-oxime

Base Information

• Chemical Name: Propanal, 2-oxo-, 1-oxime
• CAS No.: 31915-82-9
• Molecular Formula: C3H5 N O2
• Molecular Weight: 87.0782
• Hs Code.: 2928000090
• European Community (EC) Number: 206-184-0,628-911-4
• Mol file: 31915-82-9.mol

Synonyms:2-oxopropanal-1-oxime;2-oxopropanaloxime;OXOX

Chemical Property of Propanal, 2-oxo-, 1-oxime

Chemical Property:

• Melting Point: 65-67 °C(lit.)
• Boiling Point: 193°Cat760mmHg
• PKA: 8.70±0.40(Predicted)
• Flash Point: 70.6°C
• PSA: 49.66000
• Density: 1.1g/cm³
• LogP: 0.03540
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 87.032028402
• Heavy Atom Count: 6
• Complexity: 76.9

Purity/Quality:

99% ^*data from raw suppliers

(Z)-2-OxopropanalOxime ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Oximes
• Canonical SMILES: CC(=O)C=NO
• Uses: anti-Pyruvic aldehyde 1-oxime may be used in chemical synthesis.

Technology Process of Propanal, 2-oxo-, 1-oxime

There total 1 articles about Propanal, 2-oxo-, 1-oxime 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:

2-oxopropanal (78-98-8) → (Z)-2-oxopropanal oxime (31915-82-9)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide;

DOI:10.1016/j.jorganchem.2017.05.024

Reference yield:

(Z)-2-oxopropanal oxime (31915-82-9) → 4-methyl-1,3-dihydro-imidazol-2-one (1192-34-3)

Guidance literature:

With hydrogenchloride; palladium on activated charcoal; under 36775.4 Torr; Erwaermen des Reaktionsgemisches mit Kaliumcyanat;

DOI:10.1021/ja01228a008

Reference yield:

(Z)-2-oxopropanal oxime (31915-82-9) + ethyl acetoacetate (141-97-9) → 2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester (2199-51-1)

Guidance literature:

With sodium hydroxide; sodium dithionite;

upstream raw materials:

2-oxopropanal

Downstream raw materials:

1-(4-nitro-phenyl)-propane-1,2-dione-1-oxime

1-o-tolyl-propane-1,2-dione-1-oxime

3-amino-4-methylfurazan

4-methyl-1,3-dihydro-imidazol-2-one

Refernces

10.1021/jo01353a009

The study explores the synthesis of various substituted naphthyridines and biphenyls through different chemical reactions. Key chemicals involved include N-(3-amino-4-picolylidene)-p-toluidine, which serves as a precursor for multiple reactions to produce compounds like 1,7-naphthyridine-2-aldoxime, 2,9-diaza-6,8-dihydro-7,7-dimethyl-5-oxoanthracene, and 7,9-diazabenz[f]indane. These compounds are formed by reacting the precursor with different reagents such as isonitrosoacetone, dimethyldihydroresorcinol, and cyclopentanone under specific conditions like heating and refluxing. The products are characterized by their melting points, yields, and elemental analysis. In another part of the study, the reaction of various p-aroylpropionic acids with benzoyl chloride is investigated, yielding substituted phthalides in the biphenyl series. The study also delves into the infrared and ultraviolet spectral analysis of these products to understand their structural properties.