4-Methoxychalcone

Base Information

• Chemical Name: 4-Methoxychalcone
• CAS No.: 22252-15-9
• Molecular Formula: C16H14 O2
• Molecular Weight: 238.286
• European Community (EC) Number: 213-499-7
• NSC Number: 636917,170287,11866
• DSSTox Substance ID: DTXSID601313945
• Nikkaji Number: J150.791E,J47.291C
• Wikidata: Q63395979
• Metabolomics Workbench ID: 73761
• ChEMBL ID: CHEMBL105496
• Mol file: 22252-15-9.mol

Synonyms:4-Methoxychalcone;959-33-1;(E)-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one;22252-15-9;(2E)-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one;Chalcone, 4-methoxy-;3-(4-Methoxyphenyl)-1-phenyl-2-propen-1-one;2-Propen-1-one, 3-(4-methoxyphenyl)-1-phenyl-;2-(4-Methoxybenzal)acetophenone;4'-Methoxybenzylideneacetophenone;2-propen-1-one, 3-(4-methoxyphenyl)-1-phenyl-, (2E)-;MFCD00017179;(E)-3-(4-methoxyphenyl)-1-phenyl-prop-2-en-1-one;Phenyl p-methoxystyryl ketone;2-(4-Methoxybenzylidene)acetophenone;NSC636917;3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one;p-Methoxyphenyl styryl ketone;(2E)-3-(4-Methoxyphenyl)-1-phenyl-2-propen-1-one;NSC 11866;Chalcone, 4;3-(4-Methoxy-phenyl)-1-phenyl-propenone;trans-4-Methoxychalcone;(E)-4-Methoxychalcone;2-(p-Anisal)acetophenone;p-Methoxystyryl phenyl ketone;4-Methoxystyryl phenyl ketone;2-(p-Anisylidene)acetophenone;SCHEMBL521906;CHEMBL105496;SCHEMBL1566431;BDBM86005;(p-Methoxybenzylidene)acetophenone;(4-Methoxybenzylidene)acetophenone;DTXSID601313945;NSC11866;XAA25215;BBL019090;NSC-11866;NSC170287;STK993811;AKOS000447894;NSC-170287;NSC-636917;BB 0221143;CS-0181937;M1409;EN300-16058;1-Phenyl-3-(4-methoxyphenyl)-2-propen-1-one;A23188;S10243;1-Phenyl-3-(4-methoxyphenyl)-2-propen- 1-one;2-Propen-1-one,3-(4-methoxyphenyl)-1-phenyl-;10L-722;A878641;AE-641/00576037;W-100150;Q63395979;Z46028374

Chemical Property of 4-Methoxychalcone

Chemical Property:

• PSA: 26.30000
• LogP: 3.59130
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 238.099379685
• Heavy Atom Count: 18
• Complexity: 282

Purity/Quality:

97% ^*data from raw suppliers

4-Methoxychalcone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2
• Isomeric SMILES: COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2

Technology Process of 4-Methoxychalcone

There total 65 articles about 4-Methoxychalcone 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: 99.0%

4-methoxy-benzaldehyde (123-11-5) + acetophenone (98-86-2) → trans-4-methoxychalcone (22252-15-9)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 48h;

DOI:10.1007/s00044-018-2245-2

Reference yield: 93.0%

trans-[3-(4-methoxy-phenyl)-aziridin-2-yl]-phenyl-methanone → trans-4-methoxychalcone (22252-15-9)

Guidance literature:

With iodine; N,N'-diethylthiourea; In dichloromethane; for 2.5h; Reflux;

DOI:10.1007/s13738-012-0094-3

Reference yield: 92.0%

carbon monoxide (201230-82-2) + E-2'-p-methoxystyryl iodide (136618-41-2,119950-15-1) + phenylboronic acid (98-80-6) → trans-4-methoxychalcone (22252-15-9)

Guidance literature:

With potassium phosphate; palladium diacetate; at 20 ℃; for 3h; under 760.051 Torr; Reagent/catalyst;

DOI:10.1055/a-1511-0435

upstream raw materials:

4-methoxy-benzaldehyde

acetophenone

1-bromo-4-methoxy-benzene

2,3-dibromo-3-(4-methoxy-phenyl)-1-phenyl-propan-1-one

Downstream raw materials:

6-Hydroxy-4-(4-methoxy-phenyl)-6-phenyl-2-thioxo-piperidine-3-carbonitrile; compound with piperidine

3,3-dimethoxy-2-(4-methoxyphenyl)-1-phenylpropan-1-one

(E,E)-5-hydroxy-7-(4-methoxyphenyl)-5-phenylhepta-2,6-dienoic acid

(4S,5R)-5-Benzoyl-1-(3-chloro-phenyl)-4-(4-methoxy-phenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid ethyl ester