4'-Pentylacetophenone

Base Information

• Chemical Name: 4'-Pentylacetophenone
• CAS No.: 37593-02-5
• Molecular Formula: C13H18O
• Molecular Weight: 190.285
• Hs Code.: 2914399090
• NSC Number: 172891
• DSSTox Substance ID: DTXSID4068038
• Nikkaji Number: J30.884F
• Wikidata: Q72443131
• Mol file: 37593-02-5.mol

Synonyms:4'-Pentylacetophenone;37593-02-5;p-Pentylacetophenone;1-(4-Pentylphenyl)ethanone;4'-n-pentylacetophenone;p-n-Pentylacetophenone;4'-n-Amylacetophenone;Ethanone, 1-(4-pentylphenyl)-;Acetophenone, 4'-pentyl-;1-(4-pentylphenyl)ethan-1-one;MFCD00043687;NSC 172891;p-Amylacetophenone;P-Amyl Acetophenone;NSC172891;4`-Pentylacetophenone;triethanolaminesalicylate;SCHEMBL963847;1-(4-Pentyl-phenyl)-ethanone;1-(4-Pentylphenyl)ethanone #;DTXSID4068038;1-(4-pentylphenyl)-1-ethanone;BBL011372;STL146469;AKOS000118030;CS-W015878;DS-1181;NSC-172891;NCGC00326501-01;AC-18361;SY013723;AM20050047;FT-0619356;P1035;EN300-27407;4 inverted exclamation mark -Pentylacetophenone;O11275;AB01321179-02;J-515851;Z239095430

Chemical Property of 4'-Pentylacetophenone

Chemical Property:

• Appearance/Colour: Clear colorless to light yellow liquid, aromatic odor
• Vapor Pressure: 0.00187mmHg at 25°C
• Refractive Index: 1.499
• Boiling Point: 292.1 °C at 760 mmHg
• Flash Point: 120.3 °C
• PSA: 17.07000
• Density: 0.935 g/cm³
• LogP: 3.62190
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 190.135765193
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

98% ^*data from raw suppliers

4''-Pentylacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=CC=C(C=C1)C(=O)C
• Uses: Intermediates of Liquid Crystals

Technology Process of 4'-Pentylacetophenone

There total 10 articles about 4'-Pentylacetophenone 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: 60.0%

1-ethynyl-4-(n-pentyl)benzene (79887-10-8) → 4-n-pentylacetophenone (37593-02-5) + 1-(1-chlorovinyl)-4-pentylbenzene

Guidance literature:

1-ethynyl-4-(n-pentyl)benzene; With acetic anhydride; In nitromethane; at 20 ℃; for 0.5h; Inert atmosphere;

With hydrogenchloride; In nitromethane; at 20 ℃; for 23h; under 760.051 Torr; regioselective reaction;

DOI:10.1016/j.cclet.2016.04.019

Reference yield:

pentylbenzene (538-68-1) → 4-n-pentylacetophenone (37593-02-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / AlCl₃ / CH₂Cl₂ / 0.5 h / 0 °C

2: hexane; propan-2-ol / Irradiation

With aluminium trichloride; In hexane; dichloromethane; isopropyl alcohol;

Reference yield:

pentylbenzene (538-68-1) + acetyl chloride (75-36-5) → 4-n-pentylacetophenone (37593-02-5)

Guidance literature:

With aluminium trichloride; Petroleum ether;

upstream raw materials:

pentylbenzene

acetyl chloride

p-n-pentylbenzonitrile

methylmagnesium bromide

Downstream raw materials:

C₁₃H₁₈O₂

(E)-1-(4-pentylphenyl)-3-phenylprop-2-en-1-one

4-(4-pentylphenyl)-1-phenyl-1H-1,2,3-triazole

C₁₂H₁₅FO