1-(2-Hydroxy-4,5-dimethoxyphenyl)ethanone

Base Information

• Chemical Name: 1-(2-Hydroxy-4,5-dimethoxyphenyl)ethanone
• CAS No.: 20628-06-2
• Molecular Formula: C10H12O4
• Molecular Weight: 196.203
• Hs Code.: 2914509090
• European Community (EC) Number: 626-316-4
• DSSTox Substance ID: DTXSID40351684
• Nikkaji Number: J47.712E
• Wikidata: Q63409261
• ChEMBL ID: CHEMBL1338374
• Mol file: 20628-06-2.mol

Synonyms:20628-06-2;1-(2-hydroxy-4,5-dimethoxyphenyl)ethanone;2'-Hydroxy-4',5'-dimethoxyacetophenone;4',5'-Dimethoxy-2'-hydroxyacetophenone;1-(2-Hydroxy-4,5-dimethoxyphenyl)ethan-1-one;2-hydroxy-4,5-dimethoxyacetophenone;Ethanone, 1-(2-hydroxy-4,5-dimethoxyphenyl)-;MLS000549622;SCHEMBL3661837;CHEMBL1338374;KEQHBVWVKYHDCS-UHFFFAOYSA-;DTXSID40351684;HMS2314C08;MFCD00017241;STK130409;AKOS001745587;AS-66206;BP-13100;SMR000113656;1-(2-hydroxy-4,5-dimethoxy-phenyl)ethanone;CS-0077084;FT-0638023;H1206;1-(2-Hydroxy-4,5-dimethoxy-phenyl)-ethanone;T72056;A814755;AO-080/41904565;SR-01000539951;J-013478;SR-01000539951-1;Q63409261;InChI=1/C10H12O4/c1-6(11)7-4-9(13-2)10(14-3)5-8(7)12/h4-5,12H,1-3H3

Chemical Property of 1-(2-Hydroxy-4,5-dimethoxyphenyl)ethanone

Chemical Property:

• Melting Point: 113-114 °C
• Boiling Point: 332.3 °C at 760 mmHg
• PKA: 10.29±0.23(Predicted)
• Flash Point: 130.6 °C
• PSA: 55.76000
• Density: 1.172 g/cm³
• LogP: 1.61200
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

98% ^*data from raw suppliers

1-(2-Hydroxy-4,5-dimethoxyphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1O)OC)OC
• Uses: 1-(2-Hydroxy-4,5-dimethoxyphenyl)ethanone is a useful reagent in Vilsmeier-Haack reaction.

Technology Process of 1-(2-Hydroxy-4,5-dimethoxyphenyl)ethanone

There total 19 articles about 1-(2-Hydroxy-4,5-dimethoxyphenyl)ethanone 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: 100.0%

3,4-dimethoxyphenol (2033-89-8) → 2-hydroxy-4,5-dimethoxyacetophenone (20628-06-2)

Guidance literature:

With trifluoroborane diethyl ether; In acetic acid;

Reference yield: 100.0%

→ 2-hydroxy-4,5-dimethoxyacetophenone (20628-06-2)

Guidance literature:

Reference yield: 98.0%

3,4-dimethoxyphenol (2033-89-8) + acetic acid (64-19-7,77671-22-8) → 2-hydroxy-4,5-dimethoxyacetophenone (20628-06-2)

Guidance literature:

With boron trifluoride diethyl etherate; Inert atmosphere;

DOI:10.1055/s-0035-1561851

upstream raw materials:

1-methyl-4-nitrosobenzene

8,9-dimethoxy-2-methyl-pyrano[3,2-c]chromene-4,5-dione

acetic acid

1-(2,4,5-trihydroxyphenyl)ethanone

Downstream raw materials:

2'-hydroxy-3,4,4',5'-tetramethoxy-trans-chalcone

(2-acetyl-4,5-dimethoxy-phenoxy)-acetic acid ethyl ester

4-(2-hydroxy-4,5-dimethoxy-phenyl)-2,4-dioxo-butyric acid ethyl ester

2',4',5'-trimethoxyacetophenone