p-Nonylacetophenone

Base Information

• Chemical Name: p-Nonylacetophenone
• CAS No.: 37593-05-8
• Molecular Formula: C17H26O
• Molecular Weight: 246.393
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID60191029
• Wikidata: Q83063510
• Mol file: 37593-05-8.mol

Synonyms:p-Nonylacetophenone;37593-05-8;4-n-Nonylacetophenone;1-(4-nonylphenyl)ethanone;1-(4-nonylphenyl)ethan-1-one;4'-n-nonylacetophenone;p-nonyl acetophenone;4'-Nonylacetophenone;SCHEMBL962497;DTXSID60191029;MFCD00043717;AKOS024348934;CS-0363607;FT-0619316;J-503374

Chemical Property of p-Nonylacetophenone

Chemical Property:

• Vapor Pressure: 2.95E-05mmHg at 25°C
• Refractive Index: 1.5050
• Boiling Point: 356.3 °C at 760 mmHg
• Flash Point: 150 °C
• PSA: 17.07000
• Density: 0.914 g/cm³
• LogP: 5.18230
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 246.198365449
• Heavy Atom Count: 18
• Complexity: 214

Purity/Quality:

97% ^*data from raw suppliers

1-(4-NONYLPHENYL)ETHAN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC1=CC=C(C=C1)C(=O)C

Technology Process of p-Nonylacetophenone

There total 8 articles about p-Nonylacetophenone 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: 91.0%

n-nonylbenzene (1081-77-2) + acetyl chloride (75-36-5) → p-nonyl acetophenone (37593-05-8)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 2h; Ambient temperature;

Reference yield: 73.0%

→ p-nonyl acetophenone (37593-05-8)

Guidance literature:

With indium; In tetrahydrofuran; at 60 ℃; for 24h; Inert atmosphere;

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; lithium chloride; In N,N-dimethyl acetamide; at 100 ℃;

Reference yield: 63.0%

1-iodononane (4282-42-2) + 4-Iodoacetophenone (13329-40-3) → p-nonyl acetophenone (37593-05-8)

Guidance literature:

1-iodononane; With indium; copper(ll) sulfate pentahydrate; In tetrahydrofuran; water; at 60 ℃; for 12h;

4-Iodoacetophenone; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; lithium chloride; In N,N-dimethyl acetamide; water; at 80 ℃; for 24h;

DOI:10.1016/j.tetlet.2019.151288

upstream raw materials:

n-nonylbenzene

acetyl chloride

bromobenzene

1-Bromononane

Downstream raw materials:

methyl 2,4-dioxo-4-(4-nonylphenyl)-1-butanoate

p-n-Nonylphenylglyoxal

α-<4-Nonyl-phenyl>-aethylamin

C₃₀H₄₃NO₃