3-Ethylchromone

Base Information

• Chemical Name: 3-Ethylchromone
• CAS No.: 14736-30-2
• Molecular Formula: C11H10 O2
• Molecular Weight: 174.199
• Hs Code.: 2914190090
• Nikkaji Number: J3.569.487K
• Mol file: 14736-30-2.mol

Synonyms:3-Ethylchromone;2-Ethylchromone;NSC 71387;Ethyl-3 chromone [French];CHROMONE, 3-ETHYL-;4H-1-Benzopyran-4-one, 2-ethyl-;L.B.C 181;BRN 0124317;AI3-03078;Chromone, 2-ethyl-;SCHEMBL12655257;3-Ethyl-4H-1-benzopyran-4-one;Chromone, 2-ethyl- (7CI,8CI);LS-53526;J3.569.487K

Chemical Property of 3-Ethylchromone

Chemical Property:

• Vapor Pressure: 0.00874mmHg at 25°C
• Boiling Point: 266.2°Cat760mmHg
• Flash Point: 114.9°C
• PSA: 30.21000
• Density: 1.141g/cm³
• LogP: 2.35540
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.068079557
• Heavy Atom Count: 13
• Complexity: 243

Purity/Quality:

98%min ^*data from raw suppliers

2-ETHYL-4H-1-BENZOPYRAN-4-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=COC2=CC=CC=C2C1=O

Technology Process of 3-Ethylchromone

There total 13 articles about 3-Ethylchromone 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: 81.0%

o-hydroxyacetophenone (118-93-4,104809-67-8) → 2-ethyl-4H-chromen-4-one (14736-30-2)

Guidance literature:

o-hydroxyacetophenone; propanoate; With sodium hydride; In tetrahydrofuran; mineral oil; for 0.0833333h; Reflux; Inert atmosphere;

With hydrogenchloride; In methanol; water; at 20 ℃; for 14h; Inert atmosphere;

DOI:10.1039/c8cc07787h

Reference yield: 75.0%

C17H16O3 (1376543-77-9) → 2-ethyl-4H-chromen-4-one (14736-30-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 125 ℃; for 24h; Inert atmosphere; sealed tube;

DOI:10.1021/ol300908g

Reference yield: 75.0%

(trimethylsilyl)methylenetriphenylphosphorane (3739-97-7,75089-45-1) + C10H10O4C6H14Si (315241-12-4) → 2-ethyl-4H-chromen-4-one (14736-30-2)

Guidance literature:

In tetrahydrofuran; for 16h; Heating;

DOI:10.1021/ol006518p

upstream raw materials:

2-(propionylacetyl)phenol

(trimethylsilyl)methylenetriphenylphosphorane

C₁₀H₁₀O₄C₆H₁₄Si

2'-propanoyloxyacetophenone

Downstream raw materials:

2-ethyl-3,4-dihydro-2H-chromene

2-pentylphenol

2-acetyl-4H-chromen-4-one

acide chromone carboxylique-2

Refernces

• 1、 Zhao, Dongbing,Beiring, Bernhard,Glorius, Frank. "Ruthenium-NHC-catalyzed asymmetric hydrogenation of flavones and chromones: General access to enantiomerically enriched flavanones, flavanols, chromanones, and chromanols". supporting information. p. 8454 - 8458. Retrieved 2013/09/02.
• 2、 Zhao, Jie,Zhao, Yufen,Fu, Hua. "Transition-metal-free intramolecular Ullmann-type O-arylation: Synthesis of chromone derivatives". supporting information; experimental part. p. 3769 - 3773. Retrieved 2011/05/15.