p-Methoxyheptanophenone

Base Information

• Chemical Name: p-Methoxyheptanophenone
• CAS No.: 69287-13-4
• Molecular Formula: C14H20O2
• Molecular Weight: 220.312
• Hs Code.: 2914509090
• European Community (EC) Number: 676-290-3
• DSSTox Substance ID: DTXSID90219346
• Nikkaji Number: J1.202.135F
• Wikidata: Q83096270
• Mol file: 69287-13-4.mol

Synonyms:p-Methoxyheptanophenone;69287-13-4;1-(4-methoxyphenyl)heptan-1-one;Hexyl p-Methoxyphenyl Ketone;1-(4-Methoxy-phenyl)-heptan-1-one;1-(4-Methoxyphenyl)-1-heptanone;p-Anisyl Hexyl Ketone;4-methoxy phenyl hexyl ketone;4-methoxy-1-heptanoyl-benzene;SCHEMBL9045542;DTXSID90219346;1-Heptanone,1-(4-methoxyphenyl)-;MFCD00038360;1-(4-Methoxyphenyl)-1-heptanone #;AKOS011914880;FT-0675943;Boc-(R)-3-Amino-3-(3-thienyl)-propionicacid

Chemical Property of p-Methoxyheptanophenone

Chemical Property:

• Vapor Pressure: 0.000121mmHg at 25°C
• Refractive Index: 1.493
• Boiling Point: 335.3 °C at 760 mmHg
• Flash Point: 139 °C
• PSA: 26.30000
• Density: 0.968 g/cm³
• LogP: 3.84830
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 220.146329876
• Heavy Atom Count: 16
• Complexity: 193

Purity/Quality:

98%Min ^*data from raw suppliers

p-Methoxyheptanophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of p-Methoxyheptanophenone

There total 29 articles about p-Methoxyheptanophenone 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%

n-hexylmagnesium bromide (3761-92-0) + 4-methoxy-benzoyl chloride (100-07-2) → 1-(4-methoxyphenyl)-1-heptanone (69287-13-4)

Guidance literature:

With iron(III)-acetylacetonate; In tetrahydrofuran; at -78 ℃;

DOI:10.1021/jo0498866

Reference yield: 95.0%

hexyltriphenylphosphonium bromide (4762-26-9) + 4-methoxybenzonitrile (874-90-8) → 1-(4-methoxyphenyl)-1-heptanone (69287-13-4)

Guidance literature:

hexyltriphenylphosphonium bromide; With n-butyllithium; lithium iodide; In tetrahydrofuran; hexane; for 0.333333h; cooling;

4-methoxybenzonitrile; In tetrahydrofuran; hexane; at 50 ℃; for 8h;

DOI:10.1021/jo050266u

Reference yield: 92.0%

1-(hept-1-yn-1-yl)-4-methoxybenzene (64146-61-8) → 1-(4-methoxyphenyl)-1-heptanone (69287-13-4)

Guidance literature:

With hydrogenchloride; sodium sulfide; In methanol; at 65 ℃; for 60h;

DOI:10.1021/jo00266a049

upstream raw materials:

4-heptanoylphenol

dimethyl sulfate

1-(hept-1-yn-1-yl)-4-methoxybenzene

Se-methyl heptaneselenoate

Downstream raw materials:

4-(1-Hexylpent-1-enyl)-anisol

2,6-Dinitro-4-(1-butylheptyl)-phenol

2,6-Dinitro-4-(1-hexylheptyl)-phenol

4-(1-Butylheptyl)-phenol