2-(m-Benzoylphenoxy)propionic acid ethyl ester

Base Information

• Chemical Name: 2-(m-Benzoylphenoxy)propionic acid ethyl ester
• CAS No.: 74167-91-2
• Molecular Formula: C18H18O4
• Molecular Weight: 298.339
• DSSTox Substance ID: DTXSID00995629
• Nikkaji Number: J92.634E
• Mol file: 74167-91-2.mol

Synonyms:2-(m-Benzoylphenoxy)propionic acid ethyl ester;74167-91-2;BRN 5572864;Propionic acid, 2-(m-benzoylphenoxy)-, ethyl ester;ethyl 2-(3-benzoylphenoxy)propanoate;DTXSID00995629;LS-124504

Chemical Property of 2-(m-Benzoylphenoxy)propionic acid ethyl ester

Chemical Property:

• Vapor Pressure: 1.43E-07mmHg at 25°C
• Boiling Point: 429.2°C at 760 mmHg
• Flash Point: 188.7°C
• Density: 1.141g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 298.12050905
• Heavy Atom Count: 22
• Complexity: 373

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)OC1=CC=CC(=C1)C(=O)C2=CC=CC=C2

Technology Process of 2-(m-Benzoylphenoxy)propionic acid ethyl ester

There total 6 articles about 2-(m-Benzoylphenoxy)propionic acid ethyl ester 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%

3-hydroxybenzophenone (13020-57-0) + Ethyl 2-bromopropionate (535-11-5,41978-69-2) → ethyl2-(3-benzoylphenoxy)propanoate (74167-91-2)

Guidance literature:

With potassium carbonate; potassium iodide; In acetone; for 15h; Reflux;

DOI:10.1016/j.tetlet.2014.06.047

Reference yield:

(3-Bromophenyl)methanol (15852-73-0) → ethyl2-(3-benzoylphenoxy)propanoate (74167-91-2)

Guidance literature:

Multi-step reaction with 4 steps

1.1: boron trifluoride diethyl etherate / 2 h / 80 °C

2.1: N-Bromosuccinimide; water / chloroform / 3 h / Reflux

3.1: 8-Hydroxyquinoline-N-oxide; copper(l) iodide / dimethyl sulfoxide / 0.17 h / 20 °C / Inert atmosphere

3.2: 110 °C / Inert atmosphere

4.1: potassium iodide; potassium carbonate / acetone / 15 h / Reflux

With N-Bromosuccinimide; copper(l) iodide; 8-Hydroxyquinoline-N-oxide; boron trifluoride diethyl etherate; water; potassium carbonate; potassium iodide; In chloroform; dimethyl sulfoxide; acetone;

DOI:10.1016/j.tetlet.2014.06.047

Reference yield:

m-bromobenzoic aldehyde (3132-99-8) → ethyl2-(3-benzoylphenoxy)propanoate (74167-91-2)

Guidance literature:

Multi-step reaction with 5 steps

1.1: sodium tetrahydroborate / methanol / 2 h / 20 °C / Cooling with ice

2.1: boron trifluoride diethyl etherate / 2 h / 80 °C

3.1: N-Bromosuccinimide; water / chloroform / 3 h / Reflux

4.1: 8-Hydroxyquinoline-N-oxide; copper(l) iodide / dimethyl sulfoxide / 0.17 h / 20 °C / Inert atmosphere

4.2: 110 °C / Inert atmosphere

5.1: potassium iodide; potassium carbonate / acetone / 15 h / Reflux

With sodium tetrahydroborate; N-Bromosuccinimide; copper(l) iodide; 8-Hydroxyquinoline-N-oxide; boron trifluoride diethyl etherate; water; potassium carbonate; potassium iodide; In methanol; chloroform; dimethyl sulfoxide; acetone;

DOI:10.1016/j.tetlet.2014.06.047

upstream raw materials:

3-hydroxybenzophenone

Ethyl 2-bromopropionate

3-bromobenzophenone

1-benzyl-3-bromobenzene

Downstream raw materials:

2-(3-benzoylphenoxy)propanamide

2-[(3-benzoyl)-phenoxy]-propionic acid

2-(3-Benzoyl-phenoxy)-propionic acid; compound with (S)-2,6-diamino-hexanoic acid