4'-Methoxypropiophenone

Base Information

• Chemical Name: 4'-Methoxypropiophenone
• CAS No.: 121-97-1
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 29145090
• European Community (EC) Number: 204-512-7
• NSC Number: 11834
• UNII: V4W5HX9O2D
• DSSTox Substance ID: DTXSID0059536
• Nikkaji Number: J60.315E
• Wikidata: Q72518128
• Metabolomics Workbench ID: 134225
• ChEMBL ID: CHEMBL444556
• Mol file: 121-97-1.mol

Synonyms:4'-Methoxypropiophenone;121-97-1;p-Methoxypropiophenone;4-Methoxypropiophenone;1-(4-methoxyphenyl)propan-1-one;1-Propanone, 1-(4-methoxyphenyl)-;Propiophenone, 4'-methoxy-;Ethyl 4-methoxyphenyl ketone;1-(4-Methoxyphenyl)-1-propanone;4-Propanoylanisole;1-(4-methoxy-phenyl)-propan-1-one;MFCD00009310;V4W5HX9O2D;EINECS 204-512-7;NSC 11834;NSC-11834;AI3-04094;EC 204-512-7;Ethyl p-methoxyphenyl ketone;NSC11834;p-methoxy-propiophenone;para-methoxypropiophenone;p - methoxypropiophenone;4'-methoxy propiophenone;4''-Methoxypropiophenone;4\'-Methoxypropiophenone;UNII-V4W5HX9O2D;ghl.PD_Mitscher_leg0.581;SCHEMBL459470;CHEMBL444556;DTXSID0059536;1(4-methoxyphenyl)-1-oxopropane;PROPIOPHENONE, P-METHOXY-;CHEBI:167420;1-(4-methoxvphenyl)-1-propanone;4'-Methoxypropiophenone, >=99%;BCP14923;ETHYL P-METHOXYPHENYL KETONE;1-METHOXY-4-PROPANOYLBENZENE;1-PROPANOYL-4-METHOXYBENZENE;STL411987;AKOS000121514;CS-W020638;PS-6126;BB 0267971;FT-0618962;FT-0671072;FT-0671363;M1719;EN300-16143;PROPAN-1-ONE, 1-(4-METHOXYPHENYL)-;D91525;AB-131/40236160;W-108444;Z53837063;F0001-0351

Chemical Property of 4'-Methoxypropiophenone

Chemical Property:

• Appearance/Colour: Clear colourless to amber liquid
• Melting Point: 27-29 °C(lit.)
• Refractive Index: n20/D 1.5465(lit.)
• Boiling Point: 272.316 °C at 760 mmHg
• Flash Point: 118.806 °C
• PSA: 26.30000
• Density: 1.071 g/cm³
• LogP: 2.28790
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

98% ^*data from raw suppliers

4''-Methoxypropiophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=CC=C(C=C1)OC
• Uses: 4'-Methoxypropiophenone is a compound useful in organic synthesis. 4''-Methoxypropiophenone (cas# 121-97-1) is a compound useful in organic synthesis.

Technology Process of 4'-Methoxypropiophenone

There total 149 articles about 4'-Methoxypropiophenone 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%

1-(4-methoxylphenyl)-2-propen-1-ol (51410-44-7) → 4-Methoxypropiophenone (121-97-1)

Guidance literature:

With tris(acetonitrile)pentamethylcyclopentadienylruthenium(II) hexafluorophosphate; potassium carbonate; In acetonitrile; for 1h; Inert atmosphere; Reflux;

DOI:10.1016/j.tet.2008.09.095

Reference yield: 99.0%

triethyl borane (97-94-9) + 4-methoxy-N-phenyl-N-tosylbenzamide → 4-Methoxypropiophenone (121-97-1)

Guidance literature:

With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(ll) dichloride; potassium carbonate; In tetrahydrofuran; tert-butyl methyl ether; at 20 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.3390/molecules23092412

Reference yield: 98.0%

triethyl borane (97-94-9) + N-methyl-N-tosyl-p-methoxybenzamide (1445317-61-2) → 4-Methoxypropiophenone (121-97-1)

Guidance literature:

With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(ll) dichloride; potassium carbonate; In tetrahydrofuran; tert-butyl methyl ether; at 20 ℃; for 24h; Reagent/catalyst; Temperature; Solvent; Inert atmosphere; Schlenk technique;

DOI:10.3390/molecules23092412

upstream raw materials:

4-methoxyphenylacetamide

ethylmagnesium bromide

1-(4-methoxyphenyl)prop-2-en-1-one

4-methoxy-N,N-diethylbenzamide

Downstream raw materials:

3-(4-methoxyphenyl)propanoic acid

3-methyl-2-(4-methoxyphenyl)quinoline-4-carboxylic acid

3-(4-methoxy-phenyl)-2-phenyl-pent-2t-enenitrile

1,3-bis-(4-methoxy-phenyl)-2-methyl-propenone

Refernces

• 1、 Joshi, Bhupendra P.,Sharma, Anuj,Sinha, Arun K.. "Microwave- and ultrasound-assisted semisynthesis of natural methoxylated propiophenones from isomeric mixture of phenylpropenes in minutes". . p. 1826 - 1832. Retrieved 2005.
• 2、 Baciocchi, Enrico,Belvedere, Sandro,Bietti, Massimo,Lanzalunga, Osvaldo. "One electron oxidation of α-alkylbenzyl alcohols induced by potassium 12-tungstocobalt(III)ate - Comparison with the oxidation promoted by microsomal cytochrome P450". . p. 299 - 302. Retrieved 1998.
• 3、 Varenne,Godefroy. "". . p. 591. Retrieved 1905.
• 4、 Bernardon, Claire,Ben Osman, Manel,Laugel, Guillaume,Louis, Beno?t,Pale, Patrick. "Acidity versus metal-induced Lewis acidity in zeolites for Friedel–Crafts acylation". . p. 20 - 29. Retrieved 2017.
• 5、 Burns, David J.,Lee, Ai-Lan,McLean, Euan B.,Mooney, David T.. "Direct Hydrodecarboxylation of Aliphatic Carboxylic Acids: Metal- and Light-Free". supporting information. p. 686 - 691. Retrieved 2022/01/28.
• 6、 Yang, Xi,Yasukawa, Tomohiro,Yamashita, Yasuhiro,Kobayashi, Shū. "Development of Trifluoromethanesulfonic Acid-Immobilized Nitrogen-Doped Carbon-Incarcerated Niobia Nanoparticle Catalysts for Friedel-Crafts Acylation". . p. 15800 - 15806. Retrieved 2021/10/25.