1-(5-Hydroxy-2-methoxyphenyl)ethanone

Base Information

• Chemical Name: 1-(5-Hydroxy-2-methoxyphenyl)ethanone
• CAS No.: 31405-60-4
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• Hs Code.: 2914509090
• European Community (EC) Number: 830-237-2
• DSSTox Substance ID: DTXSID80556575
• Wikidata: Q82438160
• Mol file: 31405-60-4.mol

Synonyms:31405-60-4;1-(5-hydroxy-2-methoxyphenyl)ethanone;5'-HYDROXY-2'-METHOXYACETOPHENONE;1-(5-hydroxy-2-methoxyphenyl)ethan-1-one;5-Hydroxy-2-methoxyacetophenone;MFCD04038299;SCHEMBL563973;DTXSID80556575;1-(5-Hydroxy-2-methoxyphenyl)ethanon;AKOS006293662;5-HYDROXY-2-METHOXY ACETOPHENONE;BS-51432;SY151182;CS-0437922;5'-Hydroxy-2'-methoxyacetophenone, AldrichCPR;E76869;EN300-128860;Z1198163904;5 inverted exclamation mark -Hydroxy-2 inverted exclamation mark -methoxyacetophenone

Chemical Property of 1-(5-Hydroxy-2-methoxyphenyl)ethanone

Chemical Property:

• Melting Point: 83°C
• PSA: 46.53000
• LogP: 1.60340
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

97% ^*data from raw suppliers

5''-Hydroxy-2''-methoxyacetophenone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=C(C=CC(=C1)O)OC
• Uses: 5''-Hydroxy-2''-methoxyacetophenone is useful for the synthesis of (phenylethyl)acetophenones/scorzodihydrostilbenes B/D.

Technology Process of 1-(5-Hydroxy-2-methoxyphenyl)ethanone

There total 12 articles about 1-(5-Hydroxy-2-methoxyphenyl)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: 96.0%

2,2-dimethylpropionic acid 3-acetyl-4-hydroxyphenyl ester (874130-59-3) + methyl iodide (74-88-4) → 1-(5-hydroxy-2-methoxyphenyl)ethan-1-one (31405-60-4)

Guidance literature:

2,2-dimethylpropionic acid 3-acetyl-4-hydroxyphenyl ester; methyl iodide; With lithium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 26h;

With water; sodium hydroxide; In N,N-dimethyl-formamide; at 100 ℃; for 8h;

Reference yield: 54.0%

2,5-Dihydroxyacetophenone (490-78-8) + methyl iodide (74-88-4) → 1-(5-hydroxy-2-methoxyphenyl)ethan-1-one (31405-60-4)

Guidance literature:

With lithium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 17h;

Reference yield: 42.0%

→ 1-(5-hydroxy-2-methoxyphenyl)ethan-1-one (31405-60-4)

Guidance literature:

upstream raw materials:

2,5-Dihydroxyacetophenone

methyl iodide

2,2-dimethylpropionic acid 3-acetyl-4-methoxyphenyl ester

2,2-dimethylpropionic acid 3-acetyl-4-hydroxyphenyl ester

Downstream raw materials:

2-iodo-3-methoxy-5-methylbenzoic acid 3-acetyl-4-methoxyphenyl ester

5-benzyloxy-2-methoxyacetophenone