3-(2,2-Dimethylpropanoyl)chromen-2-one

Base Information

• Chemical Name: 3-(2,2-Dimethylpropanoyl)chromen-2-one
• CAS No.: 60211-71-4
• Molecular Formula: C14H14O3
• Molecular Weight: 230.25900
• DSSTox Substance ID: DTXSID30357296
• Nikkaji Number: J465.539G
• Wikidata: Q82137162
• Mol file: 60211-71-4.mol

Synonyms:3-(2,2-dimethylpropanoyl)chromen-2-one;60211-71-4;3-(2,2-dimethylpropanoyl)-2H-chromen-2-one;AO-849/15085004;SCHEMBL13404107;DTXSID30357296

Chemical Property of 3-(2,2-Dimethylpropanoyl)chromen-2-one

Chemical Property:

• PSA: 47.28000
• LogP: 3.02180
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 230.094294304
• Heavy Atom Count: 17
• Complexity: 373

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)C1=CC2=CC=CC=C2OC1=O

Technology Process of 3-(2,2-Dimethylpropanoyl)chromen-2-one

There total 1 articles about 3-(2,2-Dimethylpropanoyl)chromen-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:

ethyl pivaloylacetate (17094-34-7) + salicylaldehyde (90-02-8) → 3-pivaloyl-2H-1-benzopyran-2-one (60211-71-4)

Guidance literature:

With piperidine;

DOI:10.1080/10903120190939869

Reference yield: 62.0%

nitromethane (75-52-5) + 3-pivaloyl-2H-1-benzopyran-2-one (60211-71-4) → 1-hydroxy-3-(2-hydroxyphenyl)-4-pivaloylpyrrolidine-2,5-dione (1388215-74-4)

Guidance literature:

With triethylamine; at 20 ℃; for 18h; stereospecific reaction;

DOI:10.3390/molecules17054936

Reference yield:

3-pivaloyl-2H-1-benzopyran-2-one (60211-71-4) + α-bromoacetophenone (70-11-1) → 4,5-Benzo-exo-7-benzoyl-3-oxa-1-pivaloyl-cis-bicyclo<4.1.0>hept-4-en-2-one + 4,5-Benzo-endo-7-benzoyl-3-oxa-1-pivaloyl-cis-bicyclo<4.1.0>hept-4-en-2-one

Guidance literature:

With sodium hydroxide; Aliquat 336; In tetrachloromethane; at 25 ℃; for 1h; Yield given. Yields of byproduct given;

DOI:10.1016/S0040-4020(01)80371-9

upstream raw materials:

ethyl pivaloylacetate

salicylaldehyde

Downstream raw materials:

1-hydroxy-3-(2-hydroxyphenyl)-4-pivaloylpyrrolidine-2,5-dione