8-Oxo-8-phenyloctanoic acid

Base Information

• Chemical Name: 8-Oxo-8-phenyloctanoic acid
• CAS No.: 24314-23-6
• Molecular Formula: C14H18 O3
• Molecular Weight: 234.295
• Hs Code.: 2918300090
• NSC Number: 171230
• DSSTox Substance ID: DTXSID40305602
• Nikkaji Number: J1.560.470K
• Wikidata: Q82052288
• ChEMBL ID: CHEMBL162423
• Mol file: 24314-23-6.mol

Synonyms:8-Oxo-8-phenyloctanoic acid;7-Benzoylheptanoic acid;24314-23-6;66147-75-9;CHEMBL162423;MFCD00039609;7-BENZOYL HEPTANOIC ACID;8-keto-8-phenyl-caprylic acid;SCHEMBL3381106;8-Oxo-8-phenyloctanoic acid #;DTXSID40305602;UMCSRRHQLAVYRS-UHFFFAOYSA-N;7-BENZOYLHEPTANOICACID,98+%;BDBM50473981;NSC171230;AKOS016022495;NSC-171230;PD183360;FT-0621355

Chemical Property of 8-Oxo-8-phenyloctanoic acid

Chemical Property:

• Melting Point: 84-85 °C(Solv: water (7732-18-5))
• Boiling Point: 407.1±28.0 °C(Predicted)
• PKA: 4.77±0.10(Predicted)
• PSA: 54.37000
• Density: 1.091±0.06 g/cm3(Predicted)
• LogP: 3.29450
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 234.125594432
• Heavy Atom Count: 17
• Complexity: 242

Purity/Quality:

99%min ^*data from raw suppliers

8-Oxo-8-phenyloctanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 8-Oxo-8-phenyloctanoic acid

There total 20 articles about 8-Oxo-8-phenyloctanoic 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: 94.0%

ethyl 8-oxo-8-phenyloctanoate (103187-95-7) → 8-oxo-8-phenyloctanoic acid (24314-23-6)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; methanol; for 2h;

DOI:10.1021/jm020154k

Reference yield: 78.0%

1-phenylcyclooct-1-ene (25328-90-9) → 8-oxo-8-phenyloctanoic acid (24314-23-6)

Guidance literature:

With potassium peroxymonosulfate; iodobenzene; In water; acetonitrile; at 60 ℃; for 4h;

DOI:10.1021/ol1023807

Reference yield: 63.0%

2-phenylcyclooctan-1-one (14996-79-3) → 8-oxo-8-phenyloctanoic acid (24314-23-6)

Guidance literature:

With aurin; water; copper(II) bis(trifluoromethanesulfonate); In acetonitrile; for 48h; Schlenk technique; Irradiation;

DOI:10.1021/acs.joc.1c00708

upstream raw materials:

1,9-diphenylnonane-1,9-dione

suberoyl chloride

benzene

1-phenyl-7-(4,4,6-trimethyl-5,6-dihydro-4H-[1,3]oxazin-2-yl)-heptan-1-one

Downstream raw materials:

7-Benzoyl-oenanthsaeure-methylester

C₂₂H₂₈N₂O₄S

8-hydroxy-1-phenyl-1-octanone

C₂₃H₂₇ClN₂O₃

Refernces

• 1、 Xin, Hong,Duan, Xin-Hua,Yang, Mingyu,Zhang, Yiwen,Guo, Li-Na. "Visible Light-Driven, Copper-Catalyzed Aerobic Oxidative Cleavage of Cycloalkanones". . p. 8263 - 8273. Retrieved 2021/06/30.
• 2、 Vaisburg, Arkadii,Bernstein, Naomy,Frechette, Sylvie,Allan, Martin,Abou-Khalil, Elie,Leit, Silvana,Moradei, Oscar,Bouchain, Giliane,Wang, James,Woo, Soon Hyung,Fournel, Marielle,Yan, Pu T.,Trachy-Bourget, Marie-Claude,Kalita, Ann,Beaulieu, Carole,Li, Zuomei,MacLeod, A. Robert,Besterman, Jeffrey M.,Delorme, Daniel. "(2-Amino-phenyl)-amides of ω-substituted alkanoic acids as new histone deacetylase inhibitors". . p. 283 - 287. Retrieved 2007/10/03.