1-[4-(2-Propynyloxy)phenyl]-1-ethanone

Base Information

• Chemical Name: 1-[4-(2-Propynyloxy)phenyl]-1-ethanone
• CAS No.: 34264-14-7
• Molecular Formula: C11H10 O2
• Molecular Weight: 174.199
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID60377487
• Nikkaji Number: J1.592.150A
• Wikidata: Q82166723
• Mol file: 34264-14-7.mol

Synonyms:34264-14-7;1-[4-(2-propynyloxy)phenyl]-1-ethanone;1-(4-prop-2-ynoxyphenyl)ethanone;1-(4-(Prop-2-yn-1-yloxy)phenyl)ethanone;1-[4-(prop-2-yn-1-yloxy)phenyl]ethan-1-one;1-[4-(prop-2-yn-1-yloxy)phenyl]ethanone;1-(4-(PROP-2-YN-1-YLOXY)PHENYL)ETHAN-1-ONE;4'-(Propargyloxy)acetophenone;SCHEMBL9155792;DTXSID60377487;MFCD03001308;STL262671;AKOS000167210;AT23370;1-(4-(prop-2-ynyloxy)phenyl)ethanone;CS-0260797;FT-0680742;EN300-75941;1-{4-[(Prop-2-yn-1-yl)oxy]phenyl}ethan-1-one;9R-0335;J-503211;1-[4-(2-propynyloxy)phenyl]-1-ethanone, AldrichCPR;Z54955554

Chemical Property of 1-[4-(2-Propynyloxy)phenyl]-1-ethanone

Chemical Property:

• Vapor Pressure: 0.00132mmHg at 25°C
• Melting Point: 81-83°C
• Boiling Point: 297.9°Cat760mmHg
• Flash Point: 134.7°C
• PSA: 26.30000
• Density: 1.077g/cm³
• LogP: 1.90120
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 174.068079557
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

98%min ^*data from raw suppliers

1-[4-(2-propynyloxy)phenyl]-1-ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)OCC#C

Technology Process of 1-[4-(2-Propynyloxy)phenyl]-1-ethanone

There total 5 articles about 1-[4-(2-Propynyloxy)phenyl]-1-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: 100.0%

propargyl bromide (106-96-7) + 4-Hydroxyacetophenone (99-93-4) → 4-(2-propynyloxy)acetophenone (34264-14-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; toluene; at 25 ℃; for 24h;

DOI:10.1016/j.bmcl.2009.12.062

Reference yield: 89.0%

propargyl p-toluenesulfonate (6165-76-0) + 4-Hydroxyacetophenone (99-93-4) → 4-(2-propynyloxy)acetophenone (34264-14-7)

Guidance literature:

With 2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin; potassium carbonate; In acetonitrile; for 6h; Heating;

DOI:10.1021/ol052895w

Reference yield:

phenol (108-95-2,27073-41-2) → 4-(2-propynyloxy)acetophenone (34264-14-7)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / dichloromethane / 5 h / 20 °C / Cooling with ice

2: trifluorormethanesulfonic acid / 16 h / 40 °C / Cooling with ice

3: potassium carbonate / acetone / 12 h / 60 °C / Inert atmosphere

With trifluorormethanesulfonic acid; potassium carbonate; triethylamine; In dichloromethane; acetone;

DOI:10.1039/d1cc04408g

upstream raw materials:

propargyl bromide

4-Hydroxyacetophenone

propargyl p-toluenesulfonate

Phenyl acetate

Downstream raw materials:

1-(4-(allyloxy)phenyl)ethanone

4-Hydroxyacetophenone

5-(4-prop-2-ynyloxy-phenyl)-isoxazole-3-carboxylic acid methyl ester

5-(4-prop-2-ynyloxy-phenyl)-isoxazole-3-carboxylic acid