5-Oxo-5-(4-phenoxyphenyl)valeric acid

Base Information

• Chemical Name: 5-Oxo-5-(4-phenoxyphenyl)valeric acid
• CAS No.: 871127-74-1
• Molecular Formula: C₁₇H₁₆O₄
• Molecular Weight: 284.312
• DSSTox Substance ID: DTXSID70468335
• Wikidata: Q82295505
• Mol file: 871127-74-1.mol

Synonyms:5-OXO-5-(4-PHENOXYPHENYL)VALERIC ACID;871127-74-1;5-oxo-5-(4-phenoxyphenyl)pentanoic Acid;MFCD01320085;SCHEMBL5080173;DTXSID70468335;AKOS009242092;5-Oxo-5-(4-phenoxy-phenyl)-pentanoic acid;5-OXO-5-(4-PHENOXYPHENYL)VALERICACID

Chemical Property of 5-Oxo-5-(4-phenoxyphenyl)valeric acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 284.10485899
• Heavy Atom Count: 21
• Complexity: 339

Purity/Quality:

97% ^*data from raw suppliers

5-Oxo-5-(4-phenoxyphenyl)valericacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5-Oxo-5-(4-phenoxyphenyl)valeric acid

There total 1 articles about 5-Oxo-5-(4-phenoxyphenyl)valeric acid 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:

glutaric anhydride, (108-55-4) + diphenylether (101-84-8) → 5-oxo-5-(4-phenoxy-phenyl)-valeric acid (871127-74-1)

Guidance literature:

With aluminium trichloride; benzene;

DOI:10.1021/ja01216a013

Reference yield: 76.0%

5-oxo-5-(4-phenoxy-phenyl)-valeric acid (871127-74-1) + ethanolamine (141-43-5) → 8a-(4-Phenoxy-phenyl)-hexahydro-oxazolo[3,2-a]pyridin-5-one

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 16h; Heating;

DOI:10.1021/jm9803121

Reference yield: 38.0%

1-amino-3-(4-chloro-phenoxy)-propan-2-ol (5215-07-6) + 5-oxo-5-(4-phenoxy-phenyl)-valeric acid (871127-74-1) → (2S,8aR)-2-(4-Chloro-phenoxymethyl)-8a-(4-phenoxy-phenyl)-hexahydro-oxazolo[3,2-a]pyridin-5-one + (2R,8aR)-2-(4-Chloro-phenoxymethyl)-8a-(4-phenoxy-phenyl)-hexahydro-oxazolo[3,2-a]pyridin-5-one

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 16h; Heating;

DOI:10.1021/jm9803121

upstream raw materials:

glutaric anhydride,

diphenylether

Downstream raw materials:

5-(4-phenoxy-phenyl)-valeric acid