1-(3-Propoxyphenyl)ethanone

Base Information

• Chemical Name: 1-(3-Propoxyphenyl)ethanone
• CAS No.: 121704-77-6
• Molecular Formula: C11H14 O2
• Molecular Weight: 178.231
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID50409145
• Nikkaji Number: J1.198.629C
• Mol file: 121704-77-6.mol

Synonyms:1-(3-propoxyphenyl)ethanone;121704-77-6;3'-Propoxyacetophenone;SCHEMBL1436064;1-(3-propoxyphenyl)ethan-1-one;DTXSID50409145;NJVMQLXTCKOYLY-UHFFFAOYSA-N;BBL016563;MFCD01922000;STK424539;AKOS000193721;VS-05369

Chemical Property of 1-(3-Propoxyphenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.0105mmHg at 25°C
• Refractive Index: 1.498
• Boiling Point: 263°C at 760 mmHg
• Flash Point: 106°C
• PSA: 26.30000
• Density: 1.001g/cm³
• LogP: 2.67800
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

98%min ^*data from raw suppliers

1-(3-Propoxyphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3-Propoxyphenyl)ethanone

There total 5 articles about 1-(3-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: 100.0%

3-Hydroxyacetophenone (121-71-1) + 1-iodo-propane (107-08-4) → 3-(prop-1-yloxy)acetophenone (121704-77-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1021/jm00037a003

Reference yield:

3-Hydroxyacetophenone (121-71-1) → 3-(prop-1-yloxy)acetophenone (121704-77-6)

Guidance literature:

With potassium carbonate; In acetone; Reflux;

DOI:10.1111/cbdd.12064

Reference yield:

C11H16O2 → 3-(prop-1-yloxy)acetophenone (121704-77-6)

Guidance literature:

With manganese(IV) oxide; silica gel; In acetonitrile; at 70 ℃; for 8h; Molecular sieve;

DOI:10.1016/j.ejmech.2018.09.053

upstream raw materials:

3-Hydroxyacetophenone

1-iodo-propane

propyl bromide

3-O-propoxybenzaldehyde

Downstream raw materials:

1-(2-Bromo-5-propoxyphenyl)ethanone

methyl 3-(prop-1-yloxy)benzoylacetate

Refernces

• 1、 Bi, Fangchao,Song, Di,Zhang, Nan,Liu, Zhiyang,Gu, Xinjie,Hu, Chaoyu,Cai, Xiaokang,Venter, Henrietta,Ma, Shutao. "Design, synthesis and structure-based optimization of novel isoxazole-containing benzamide derivatives as FtsZ modulators". . p. 90 - 103. Retrieved 2018/10/04.
• 2、 -. "ENDOTHELIN RECEPTOR ANTAGONISTS". . . Retrieved 2008/06/13.