Ethanone, 1-[4-(pentyloxy)phenyl]-

Base Information

• Chemical Name: Ethanone, 1-[4-(pentyloxy)phenyl]-
• CAS No.: 5467-56-1
• Molecular Formula: C13H18O2
• Molecular Weight: 206.285
• Hs Code.: 2914509090
• NSC Number: 25613
• UNII: KK85TW87J4
• DSSTox Substance ID: DTXSID2063925
• Nikkaji Number: J308.055B
• Wikidata: Q81991104
• Mol file: 5467-56-1.mol

Synonyms:5467-56-1;Ethanone, 1-[4-(pentyloxy)phenyl]-;1-[4-(Pentyloxy)phenyl]ethanone;1-(4-pentoxyphenyl)ethanone;p-(Pentyloxy)acetophenone;1-(4-(pentyloxy)phenyl)ethanone;Ethanone, 1-(4-(pentyloxy)phenyl)-;1-[4-(pentyloxy)phenyl]ethan-1-one;KK85TW87J4;MFCD00027266;NSC 25613;NSC-25613;NSC25613;p-amyloxyacetophenone;Nimustinehydrochloride;p-pentyloxyacetophenone;4'-Pentyloxyacetophenone;UNII-KK85TW87J4;1-(4-Pentoxylphenyl)ethanone;SCHEMBL1470028;DTXSID2063925;1-(4-Pentyloxy-phenyl)-ethanone;4'-(PENTYLOXY)ACETOPHENONE;1-[4-(Pentyloxy)phenyl]ethanone #;AKOS000203223;ACETOPHENONE, 4'-(PENTYLOXY)-;NCGC00329212-01;AS-47998;CS-0307840;EN300-08552;F17512;AB01322481-02;Z56942085

Chemical Property of Ethanone, 1-[4-(pentyloxy)phenyl]-

Chemical Property:

• Vapor Pressure: 0.00033mmHg at 25°C
• Boiling Point: 319.9°Cat760mmHg
• Flash Point: 134.4°C
• PSA: 26.30000
• Density: 0.977g/cm³
• LogP: 3.45820
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 181

Purity/Quality:

99%, ^*data from raw suppliers

1-(4-Pentoxylphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC1=CC=C(C=C1)C(=O)C
• Uses: 1-[4-(Pentyloxy)phenyl]-ethanone is a useful reagent for organic synthesis, can be used in the synthesis of antibiotic compounds.

Technology Process of Ethanone, 1-[4-(pentyloxy)phenyl]-

There total 8 articles about Ethanone, 1-[4-(pentyloxy)phenyl]- 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%

1-Bromopentane (110-53-2) + 4-Hydroxyacetophenone (99-93-4) → 4-pentyloxyacetophenone (5467-56-1)

Guidance literature:

With potassium carbonate; In water; ethyl acetate; acetone;

Reference yield:

4-Hydroxyacetophenone (99-93-4) → 4-pentyloxyacetophenone (5467-56-1)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃;

DOI:10.1248/cpb.c19-00949

Reference yield:

1-Chloropentane (543-59-9) + 4-Hydroxyacetophenone (99-93-4) → 4-pentyloxyacetophenone (5467-56-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 - 80 ℃; for 4h; Inert atmosphere;

upstream raw materials:

(pentyloxy)benzene

acetic anhydride

1-Bromopentane

4-Hydroxyacetophenone

Downstream raw materials:

1-(4-pentyloxy-phenyl)-3-piperidino-propan-1-one; hydrochloride

1,3-Di-(p-n-pentyloxyphenyl)propane-1,3-dione

4-amyloxy-3-nitroacetophenone

1-(4-pentyloxy-phenyl)-3-(4-propyl-piperidino)-propan-1-one-phenylhydrazone

Refernces

• 1、 -. "Preparation method of micafungin derivative side chain intermediate". Paragraph 0040-0041. . Retrieved 2020/02/14.
• 2、 Guglielmi, Paolo,Carradori, Simone,Poli, Giulio,Secci, Daniela,Cirilli, Roberto,Rotondi, Giulia,Chimenti, Paola,Petzer, Anél,Petzer, Jacobus P.. "Design, synthesis, docking studies and monoamine oxidase inhibition of a small library of 1-acetyl- and 1-thiocarbamoyl-3,5-diphenyl-4,5-dihydro-(1h)-pyrazoles". . . Retrieved 2019/02/03.