1-(4-Methoxyphenyl)pentan-1-one

Base Information

• Chemical Name: 1-(4-Methoxyphenyl)pentan-1-one
• CAS No.: 1671-76-7
• Molecular Formula: C12H16O2
• Molecular Weight: 192.258
• Hs Code.: 2914509090
• European Community (EC) Number: 216-803-6
• NSC Number: 406939
• UNII: CRF9XE6C9T
• DSSTox Substance ID: DTXSID70168227
• Nikkaji Number: J195.311G
• Wikidata: Q83037779
• Mol file: 1671-76-7.mol

Synonyms:1-(4-Methoxyphenyl)pentan-1-one;1671-76-7;4'-Methoxyvalerophenone;p-Methoxyvalerophenone;1-Pentanone, 1-(4-methoxyphenyl)-;1-(4-Methoxyphenyl)-1-pentanone;1-(4-methoxyphenyl)-pentan-1-one;EINECS 216-803-6;1-(4-Methoxy-phenyl)-pentan-1-one;NSC-406939;AI3-10517;NSC406939;CRF9XE6C9T;Valerophenone, 4'-methoxy-;Butyl 4-methoxyphenyl ketone;SCHEMBL4530719;SCHEMBL12015240;DTXSID70168227;BAA67176;MFCD00027236;1-(4-Methoxyphenyl)-1-pentanone #;AKOS009347319;NSC 406939;A3705;AM20030120;FT-0695233;D87957;A1-02041

Chemical Property of 1-(4-Methoxyphenyl)pentan-1-one

Chemical Property:

• Vapor Pressure: 0.000888mmHg at 25°C
• Melting Point: 22-23.5 °C
• Refractive Index: 1.496
• Boiling Point: 304.2 °C at 760 mmHg
• Flash Point: 129.5 °C
• PSA: 26.30000
• Density: 0.988 g/cm³
• LogP: 3.06810
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

97% ^*data from raw suppliers

4''-Methoxyvalerophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Methoxyphenyl)pentan-1-one

There total 75 articles about 1-(4-Methoxyphenyl)pentan-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: 100.0%

n-valeryl chloride (638-29-9) + methoxybenzene (100-66-3) → p-Methoxyvalerophenon (1671-76-7)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 15h; Ambient temperature;

DOI:10.1021/jm00155a038

Reference yield: 99.0%

n-butyllithium (109-72-8,29786-93-4) + 4-methoxy-benzaldehyde (123-11-5) → p-Methoxyvalerophenon (1671-76-7)

Guidance literature:

n-butyllithium; 4-methoxy-benzaldehyde; In tetrahydrofuran; hexane; at -78 ℃; for 0.341667h;

With N-(tert-butyl)benzenesulfinimidoyl chloride; In tetrahydrofuran; at -78 - 20 ℃; for 0.666667h;

DOI:10.1021/ol061903l

Reference yield: 97.0%

tributyl borane (122-56-5) + N-methyl-N-tosyl-p-methoxybenzamide (1445317-61-2) → p-Methoxyvalerophenon (1671-76-7)

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

upstream raw materials:

1-methoxy-4-(pent-1-en-1-yl)benzene

n-valeryl chloride

methoxybenzene

valeric acid

Downstream raw materials:

1-(4-Methoxyphenyl)pentane

2-(Bis-methylsulfanyl-methylene)-1-(4-methoxy-phenyl)-pentan-1-one

4-methoxybenzoic acid

butyric acid