1-(4-Propoxyphenyl)ethanone

Base Information

• Chemical Name: 1-(4-Propoxyphenyl)ethanone
• CAS No.: 5736-86-7
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• Hs Code.: 2914509090
• European Community (EC) Number: 809-444-7
• NSC Number: 91022
• DSSTox Substance ID: DTXSID50972869
• Nikkaji Number: J642.574G
• Wikidata: Q82956702
• Mol file: 5736-86-7.mol

Synonyms:1-(4-Propoxyphenyl)ethanone;5736-86-7;1-(4-propoxyphenyl)ethan-1-one;4'-Propoxyacetophenone;MFCD01922144;Ethanone, 1-(4-propoxyphenyl)-;NSC91022;p-Propoxy-acetophenon;1-(4-propoxyphenyl) ethanone;SCHEMBL1442973;1-(4-Propoxyphenyl)ethanone #;DTXSID50972869;NSC-91022;STK411266;AKOS000203230;AB90970;AC-15057;NS-01531;CS-0453696;FT-0635828;P2377;EN300-07886;T72645;Z53832963;Quinoline, 1,2,3,4-tetrahydro-1-[2-(4-morpholinyl)ethyl]-, monohydrochloride

Chemical Property of 1-(4-Propoxyphenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.00236mmHg at 25°C
• Melting Point: 21 °C
• Refractive Index: 1.498
• Boiling Point: 288.3 °C at 760 mmHg
• Flash Point: 124.3 °C
• PSA: 26.30000
• Density: 1.001 g/cm³
• LogP: 2.67800
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC=C(C=C1)C(=O)C

Technology Process of 1-(4-Propoxyphenyl)ethanone

There total 15 articles about 1-(4-Propoxyphenyl)ethanone 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: 96.0%

4-(2-propynyloxy)acetophenone (34264-14-7) → 1-(4-propoxyphenyl)ethanone (5736-86-7)

Guidance literature:

With copper(ll) sulfate pentahydrate; 2.9-dimethyl-1,10-phenanthroline; hydrazine hydrate; In ethanol; at 78 ℃; for 17h;

DOI:10.1021/acs.joc.1c01803

Reference yield: 80.0%

propan-1-ol (71-23-8) + 1-(4-fluorophenyl)ethanone (403-42-9) → 1-(4-propoxyphenyl)ethanone (5736-86-7)

Guidance literature:

propan-1-ol; With N-benzyl-trimethylammonium hydroxide; for 0.166667h; Neat (no solvent);

1-(4-fluorophenyl)ethanone; at 50 ℃; for 0.916667h; Neat (no solvent);

DOI:10.1080/00397910903219518

Reference yield: 65.0%

tetrapropoxysilane (682-01-9) + para-bromoacetophenone (99-90-1) → 1-(4-propoxyphenyl)ethanone (5736-86-7)

Guidance literature:

With 1-(diphenylphosphino)ferrocene-1-(di-tert-butylphosphino)ferrocene; palladium diacetate; sodium hydroxide; In toluene; for 16h; Inert atmosphere; Microwave irradiation; Reflux;

DOI:10.1039/b907784g

upstream raw materials:

propoxybenzene

acetic anhydride

propyl bromide

4-Hydroxyacetophenone

Downstream raw materials:

1-(3-amino-4-propoxyphenyl)ethan-1-one

3-chloro-propionic acid-(5-acetyl-2-propoxy-anilide)

3-piperidino-propionic acid-(5-acetyl-2-propoxy-anilide)

C₁₂H₁₇NO₂