1-(4-Hydroxy-3-methoxyphenyl)butan-1-one

Base Information

• Chemical Name: 1-(4-Hydroxy-3-methoxyphenyl)butan-1-one
• CAS No.: 64142-23-0
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• DSSTox Substance ID: DTXSID10554766
• Nikkaji Number: J1.049.518K
• Wikidata: Q82435929
• Mol file: 64142-23-0.mol

Synonyms:1-(4-Hydroxy-3-methoxyphenyl)butan-1-one;64142-23-0;1-Butanone, 1-(4-hydroxy-3-methoxyphenyl)-;Butyrovanillone;1-(4-hydroxy-3-methoxyphenyl)-1-butanone;1-[4-Hydroxy-3-methoxyphenyl]-1-butanone;SCHEMBL3811067;DTXSID10554766;4'-hydroxy-3'-methoxybutyrophenone;4'-hydroxy-3'-methoxy-butyrophenone;Butyrophenone, 4'-hydroxy-3'-methoxy-;AS-78266;4-(4-hydroxy-3-methoxyphenyl)-4-butanone;CS-0163418;1-[4-hydroxy-3-(methyloxy)phenyl]-1-butanone;D94316

Chemical Property of 1-(4-Hydroxy-3-methoxyphenyl)butan-1-one

Chemical Property:

• Melting Point: 54-55 °C
• Boiling Point: 185-195 °C(Press: 15 Torr)
• PSA: 46.53000
• Density: 1.101±0.06 g/cm3(Predicted)
• LogP: 2.38360
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

1-(4-Hydroxy-3-methoxyphenyl)butan-1-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C1=CC(=C(C=C1)O)OC

Technology Process of 1-(4-Hydroxy-3-methoxyphenyl)butan-1-one

There total 7 articles about 1-(4-Hydroxy-3-methoxyphenyl)butan-1-one 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: 78.0%

4-Butyroylpyrocatechol (17386-89-9) + methyl iodide (74-88-4) → 1-(3,4-dimethoxyphenyl)butan-1-one (54419-21-5) + 4-butyryl-2-hydroxy-1-methoxybenzene (91970-65-9) + 4-butyryl-1-hydroxy-2-methoxybenzene (64142-23-0)

Guidance literature:

With lithium carbonate; In N,N-dimethyl-formamide; at 55 ℃; for 18h; chemoselective reaction; Inert atmosphere;

DOI:10.1016/j.tetlet.2019.03.016

Reference yield:

2-methoxy-phenol (90-05-1) → 4-butyryl-1-hydroxy-2-methoxybenzene (64142-23-0)

Guidance literature:

Zinc chloride; In butanoic acid anhydride;

Reference yield:

2-methoxy-phenol (90-05-1) + butyryl chloride (141-75-3) → 4-butyryl-1-hydroxy-2-methoxybenzene (64142-23-0)

Guidance literature:

With aluminum (III) chloride; In carbon disulfide;

DOI:10.1016/j.crci.2013.03.020

upstream raw materials:

1-(4-hydroxy-3-methoxy-phenyl)-butan-1-ol

2-methoxy-phenol

butyric acid

vanillin acetate

Downstream raw materials:

C₁₅H₂₀O₅

4'-hydroxy-3'-methoxy-5'-nitrobutyrophenone