2-Oxo-2H-pyran-5-carbaldehyde

Base Information

• Chemical Name: 2-Oxo-2H-pyran-5-carbaldehyde
• CAS No.: 18327-02-1
• Molecular Formula: C₆H₄O₃
• Molecular Weight: 124.096
• DSSTox Substance ID: DTXSID10545674
• Nikkaji Number: J416.508J
• Wikidata: Q82423247
• Mol file: 18327-02-1.mol

Synonyms:2-Oxo-2H-pyran-5-carbaldehyde;18327-02-1;6-OXOPYRAN-3-CARBALDEHYDE;SCHEMBL5161487;DTXSID10545674;A908001

Chemical Property of 2-Oxo-2H-pyran-5-carbaldehyde

Chemical Property:

• Boiling Point: 257.1±33.0 °C(Predicted)
• PSA: 47.28000
• Density: 1.457±0.06 g/cm3(Predicted)
• LogP: 0.45230
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 124.016043985
• Heavy Atom Count: 9
• Complexity: 200

Purity/Quality:

97% ^*data from raw suppliers

2-Oxo-2H-pyran-5-carbaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=O)OC=C1C=O

Technology Process of 2-Oxo-2H-pyran-5-carbaldehyde

There total 1 articles about 2-Oxo-2H-pyran-5-carbaldehyde 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: 41.5%

2-oxo-2H-pyran-5-carbonyl chloride (23090-18-8) → 2-oxo-2H-pyran-5-carbaldehyde (18327-02-1)

Guidance literature:

With hydrogen; Pd-BaSO₄; In xylene; at 110 ℃; for 12h;

DOI:10.1135/cccc20071094

Reference yield: 65.0%

2-oxo-2H-pyran-5-carbaldehyde (18327-02-1) → 6-oxo-1,6-dihydropyridine-3-carbaldehyde (106984-91-2)

Guidance literature:

With 1,1,1,3,3,3-hexamethyl-disilazane; In acetonitrile; at 25 ℃; for 24h;

DOI:10.1055/s-1991-26600

Reference yield: 59.36%

2-oxo-2H-pyran-5-carbaldehyde (18327-02-1) + Ethyl-2-amino-3-(4'-chlorophenyl)prop-2-enoate (204859-64-3) → Ethyl-3-(4'-chlorophenyl)-6-formyl-2,3-dihydro-1H-azepin-2-carboxylat

Guidance literature:

In methanol; for 15h; Ambient temperature;

DOI:10.1002/hlca.19890720306

upstream raw materials:

2-oxo-2H-pyran-5-carbonyl chloride

Downstream raw materials:

6-oxo-1,6-dihydropyridine-3-carbaldehyde

5-vinylpyrimidine-2-amine

Dimethyl-(5-vinyl-pyrimidin-2-yl)-amine

2-p-Tolyl-5-vinyl-pyrimidine