Ethyl 7-oxo-7-phenylheptanoate

Base Information

• Chemical Name: Ethyl 7-oxo-7-phenylheptanoate
• CAS No.: 112665-41-5
• Molecular Formula: C15H20O3
• Molecular Weight: 248.322
• DSSTox Substance ID: DTXSID50455501
• Nikkaji Number: J2.002.190J
• Wikidata: Q72476521
• Mol file: 112665-41-5.mol

Synonyms:ETHYL 7-OXO-7-PHENYLHEPTANOATE;112665-41-5;MFCD00672059;Ethyl7-oxo-7-phenylheptanoate;SCHEMBL3821909;DTXSID50455501;DMINFMRYRQRRTD-UHFFFAOYSA-N;AKOS016010573;7-Oxo-7-phenylheptanoic acid ethyl ester;MS-21077;FT-0744712

Chemical Property of Ethyl 7-oxo-7-phenylheptanoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 353.736°C at 760 mmHg
• Flash Point: 153.394°C
• PSA: 43.37000
• Density: 1.034
• LogP: 3.38290
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 248.14124450
• Heavy Atom Count: 18
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

Ethyl7-oxo-7-phenylheptanoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCCCC(=O)C1=CC=CC=C1

Technology Process of Ethyl 7-oxo-7-phenylheptanoate

There total 7 articles about Ethyl 7-oxo-7-phenylheptanoate 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: 85.0%

ethanol (64-17-5) + 2-Benzoylcyclohexanone (3580-38-9) → ethyl 7-oxo-7-phenylheptanoate (112665-41-5)

Guidance literature:

With indium(III) triflate; at 80 ℃; for 24h; Neat (no solvent); Inert atmosphere;

DOI:10.1002/asia.200900553

Reference yield: 68.0%

ethyl 7-bromoheptanoate (29823-18-5) + benzoyl chloride (98-88-4) → ethyl 7-oxo-7-phenylheptanoate (112665-41-5)

Guidance literature:

With manganese; In tetrahydrofuran; at 0 ℃;

DOI:10.1016/j.tetlet.2003.11.045

Reference yield:

sodium ethanolate (141-52-6) + 2-Benzoylcyclohexanone (3580-38-9) → ethyl 7-oxo-7-phenylheptanoate (112665-41-5)

Guidance literature:

In ethanol; at 20 ℃; for 3.5h;

upstream raw materials:

ethyl 6-(chloroformyl)hexanoate

benzene

ethyl 6-iodohexanoate

benzoyl chloride

Downstream raw materials:

7-hydroxy-7-phenyl-heptanoic acid ethyl ester

7-Phenyl-hept-6-ensaeure-ethylester

6-benzoylhexanoic acid

ethyl (E)-7-{4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyloxyimino}-7-phenylheptanoate

Refernces

• 1、 Zemtsov, Artem A.,Ashirbaev, Salavat S.,Levin, Vitalij V.,Kokorekin, Vladimir A.,Korlyukov, Alexander A.,Dilman, Alexander D.. "Photoredox Reaction of 2-Mercaptothiazolinium Salts with Silyl Enol Ethers". . . Retrieved 2019/11/29.
• 2、 -. "PYRROLOPYRIDAZINE DERIVATIVES". Page 79. . Retrieved 2008/06/13.