2-(4-Hydroxy-3,5-dimethylbenzoyl)-4-benzopyrone

Base Information

• Chemical Name: 2-(4-Hydroxy-3,5-dimethylbenzoyl)-4-benzopyrone
• CAS No.: 67652-27-1
• Molecular Formula: C18H14O4
• Molecular Weight: 294.307
• European Community (EC) Number: 266-838-6
• DSSTox Substance ID: DTXSID90217968
• Nikkaji Number: J333.263B
• Wikidata: Q83094692
• Mol file: 67652-27-1.mol

Synonyms:2-(4-Hydroxy-3,5-dimethylbenzoyl)-4-benzopyrone;67652-27-1;EINECS 266-838-6;SCHEMBL11495638;DTXSID90217968;NJABAKPWQDHIPN-UHFFFAOYSA-N;2-(3,5-dimethyl 4-hydroxy benzoyl) chromone;2-(4-Hydroxy-3,5-dimethylbenzoyl)-4H-1-benzopyran-4-one

Chemical Property of 2-(4-Hydroxy-3,5-dimethylbenzoyl)-4-benzopyrone

Chemical Property:

• Vapor Pressure: 2.57E-10mmHg at 25°C
• Boiling Point: 492.3°Cat760mmHg
• Flash Point: 182.7°C
• PSA: 67.51000
• Density: 1.319g/cm³
• LogP: 3.34640
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 294.08920892
• Heavy Atom Count: 22
• Complexity: 483

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1O)C)C(=O)C2=CC(=O)C3=CC=CC=C3O2

Technology Process of 2-(4-Hydroxy-3,5-dimethylbenzoyl)-4-benzopyrone

There total 2 articles about 2-(4-Hydroxy-3,5-dimethylbenzoyl)-4-benzopyrone 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: 72.0%

→ (dimethyl-3',5' hydroxy-4' benzoyl)-2 chromone (67652-27-1)

Guidance literature:

Reference yield: 71.0%

2.6-dimethylphenol (576-26-1,25134-01-4) + 4-oxo-4H-chromene-2-carbonyl chloride (5112-47-0) → (dimethyl-3',5' hydroxy-4' benzoyl)-2 chromone (67652-27-1)

Guidance literature:

With aluminium trichloride; In 1,2-dichloro-ethane; at 0 ℃; for 1h;

Reference yield:

(dimethyl-3',5' hydroxy-4' benzoyl)-2 chromone (67652-27-1) → 2-[4-(3-N,N-dibutylamino propoxy)-3,5-dimethyl benzoyl] chromone hydrochloride (67652-33-9)

Guidance literature:

With potassium carbonate; In Diethyl formamide; water; N,N-dimethyl-formamide;

upstream raw materials:

2.6-dimethylphenol

4-oxo-4H-chromene-2-carbonyl chloride

Downstream raw materials:

2-[4-(3-N,N-dibutylamino propoxy)-3,5-dimethyl benzoyl] chromone hydrochloride

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