2H-Pyran-2-one, 5-benzoyl-

Base Information

• Chemical Name: 2H-Pyran-2-one, 5-benzoyl-
• CAS No.: 55588-79-9
• Molecular Formula: C12H8O3
• Molecular Weight: 200.194
• DSSTox Substance ID: DTXSID80357827
• Nikkaji Number: J416.513F
• Wikidata: Q82137979
• Mol file: 55588-79-9.mol

Synonyms:5-(phenylcarbonyl)-2H-pyran-2-one;2H-Pyran-2-one, 5-benzoyl-;55588-79-9;DTXSID80357827;STK367108;AKOS005443701;SR-01000217818;SR-01000217818-1

Chemical Property of 2H-Pyran-2-one, 5-benzoyl-

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 200.047344113
• Heavy Atom Count: 15
• Complexity: 333

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=COC(=O)C=C2

Technology Process of 2H-Pyran-2-one, 5-benzoyl-

There total 1 articles about 2H-Pyran-2-one, 5-benzoyl- 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-oxo-2H-pyran-5-carbonyl chloride (23090-18-8) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → (2-Oxo-2H-pyran-5-yl)-phenylketon (55588-79-9)

Guidance literature:

With aluminium trichloride;

DOI:10.1021/ja01592a014

Reference yield: 97.0%

(2-Oxo-2H-pyran-5-yl)-phenylketon (55588-79-9) → 5-benzoyl-1H-pyridin-2-one (27039-13-0)

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: 73.0%

4-phenyl-4-vinyl-1,3-dioxolan -2-one (1459246-62-8) + (2-Oxo-2H-pyran-5-yl)-phenylketon (55588-79-9) → C22H18O4

Guidance literature:

With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾ chloroform adduct; (3,5-Dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)-bis-((R)-1-phenyl-ethyl)-amine; In chloroform; at 25 ℃; for 48h; enantioselective reaction;

DOI:10.1021/acscatal.8b04590

upstream raw materials:

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

benzene

Downstream raw materials:

5-benzoyl-1-(3,4-dimethoxy-phenethyl)-1H-pyridin-2-one

5-benzoyl-1-phenethyl-1H-pyridin-2-one

5,5'-dibenzoyl-1H,1'H-1,1'-ethanediyl-bis-pyridin-2-one

5-benzoyl-1-(2-diethylamino-ethyl)-1H-pyridin-2-one