5'-Ethoxy-2'-hydroxyacetophenone

Base Information

• Chemical Name: 5'-Ethoxy-2'-hydroxyacetophenone
• CAS No.: 56414-14-3
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• European Community (EC) Number: 624-107-2
• DSSTox Substance ID: DTXSID30480492
• Nikkaji Number: J1.421.500J
• Wikidata: Q82315287
• Mol file: 56414-14-3.mol

Synonyms:5'-Ethoxy-2'-hydroxyacetophenone;56414-14-3;1-(5-ethoxy-2-hydroxyphenyl)ethanone;SCHEMBL3652542;DTXSID30480492;MFCD05664258;AKOS000295784;5'-Ethoxy-2'-hydroxyacetophenone, 97%;5'-ETHOXY-2'-HYDROXYACETOPHENONE 97

Chemical Property of 5'-Ethoxy-2'-hydroxyacetophenone

Chemical Property:

• Vapor Pressure: 0.00145mmHg at 25°C
• Melting Point: 55-59 °C(lit.)
• Refractive Index: 1.531
• Boiling Point: 287.3°C at 760 mmHg
• PKA: 10.69±0.18(Predicted)
• Flash Point: >230 °F
• PSA: 46.53000
• Density: 1.126g/cm³
• LogP: 1.99350
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(5-Ethoxy-2-hydroxyphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC(=C(C=C1)O)C(=O)C

Technology Process of 5'-Ethoxy-2'-hydroxyacetophenone

There total 10 articles about 5'-Ethoxy-2'-hydroxyacetophenone 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: 90.0%

diethyl ether (60-29-7,927820-24-4) + benzene-1,4-diyl diacetate (1205-91-0) → 1-(5-ethoxy-2-hydroxyphenyl)ethanone (56414-14-3)

Guidance literature:

With boron trifluoride; for 1h; Heating;

DOI:10.1021/jo000412q

Reference yield: 69.0%

ethyl iodide (75-03-6) + 2,5-Dihydroxyacetophenone (490-78-8) → 1-(5-ethoxy-2-hydroxyphenyl)ethanone (56414-14-3)

Guidance literature:

With potassium carbonate; In acetone; for 5h; Heating;

DOI:10.1016/S0968-0896(02)00307-3

Reference yield:

6-ethoxy-2-(4-methoxy-phenyl)-chromen-4-one + sodium ethanolate (141-52-6) → 1-(5-ethoxy-2-hydroxyphenyl)ethanone (56414-14-3) + 4-methoxybenzoic acid (100-09-4)

Guidance literature:

upstream raw materials:

sodium ethanolate

ethyl bromide

diethyl ether

benzene-1,4-diyl diacetate

Downstream raw materials:

diethyl 3-(5-ethoxy-2-hydroxybenzoyl)-2,4-dimethylenepentanedioate