Ethyl 5-oxo-5-(4-phenoxyphenyl)valerate

Base Information

• Chemical Name: Ethyl 5-oxo-5-(4-phenoxyphenyl)valerate
• CAS No.: 105769-45-7
• Molecular Formula: C19H20O4
• Molecular Weight: 312.36
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID00544373
• Wikidata: Q82421475
• Mol file: 105769-45-7.mol

Synonyms:ETHYL 5-OXO-5-(4-PHENOXYPHENYL)VALERATE;105769-45-7;ethyl 5-oxo-5-(4-phenoxyphenyl)pentanoate;MFCD07700154;SCHEMBL9730350;DTXSID00544373;MSFZEAUJPOMSMY-UHFFFAOYSA-N;AKOS016023106;ETHYL5-OXO-5-(4-PHENOXYPHENYL)VALERATE;5-Oxo-5(4-phenoxyphenyl)-pentanoic acid ethyl ester

Chemical Property of Ethyl 5-oxo-5-(4-phenoxyphenyl)valerate

Chemical Property:

• Vapor Pressure: 2.24E-08mmHg at 25°C
• Boiling Point: 452.4°C at 760 mmHg
• Flash Point: 198.5°C
• PSA: 52.60000
• Density: 1.125g/cm³
• LogP: 4.39500
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 312.13615911
• Heavy Atom Count: 23
• Complexity: 366

Purity/Quality:

97% ^*data from raw suppliers

Ethyl5-oxo-5-(4-phenoxyphenyl)valerate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2

Technology Process of Ethyl 5-oxo-5-(4-phenoxyphenyl)valerate

There total 1 articles about Ethyl 5-oxo-5-(4-phenoxyphenyl)valerate 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:

ethyl glutaroyl chloride (5205-39-0) + diphenylether (101-84-8) → ethyl 4-(4-phenoxybenzoyl)butyrate (105769-45-7)

Guidance literature:

aluminium chloride; In 1,1-dichloroethane;

Reference yield:

ethyl 4-(4-phenoxybenzoyl)butyrate (105769-45-7) → 2-<4-<4-(4-chlorophenoxy)phenyl>-2-methyl-5-thiazolyl>acetic acid (105769-34-4)

Guidance literature:

Multi-step reaction with 3 steps

1: Br₂

2: pyridine / methanol / 2 h / Heating

3: 82.7 percent / KOH

With pyridine; potassium hydroxide; bromine; In methanol;

DOI:10.1248/cpb.34.701

Reference yield:

ethyl 4-(4-phenoxybenzoyl)butyrate (105769-45-7) → ethyl 2-<4-<4-(4-chlorophenoxy)phenyl>-2-methyl-5-thiazolyl>acetate

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂

2: pyridine / methanol / 2 h / Heating

With pyridine; bromine; In methanol;

DOI:10.1248/cpb.34.701

upstream raw materials:

ethyl glutaroyl chloride

diphenylether

Downstream raw materials:

2-<4-<4-(4-chlorophenoxy)phenyl>-2-methyl-5-thiazolyl>acetic acid

ethyl 3-<2-amino-4-(4-phenoxyphenyl)-5-thiazolyl>propionate