2,2-Dimethyl-5-oxo-5-phenylpentanoic acid

Base Information

Chemical Name:2,2-Dimethyl-5-oxo-5-phenylpentanoic acid
CAS No.:2938-49-0
Molecular Formula:C13H16 O3
Molecular Weight:220.2643
Hs Code.:
NSC Number:171231
DSSTox Substance ID:DTXSID00305603
Nikkaji Number:J2.525.240C
Wikidata:Q82052289
Mol file:2938-49-0.mol

Synonyms:2,2-dimethyl-5-oxo-5-phenylpentanoic acid;2938-49-0;NSC171231;DTXSID00305603;NSC-171231

Suppliers and Price of 2,2-Dimethyl-5-oxo-5-phenylpentanoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of 2,2-Dimethyl-5-oxo-5-phenylpentanoic acid

Chemical Property:

Vapor Pressure:1.15E-06mmHg at 25°C
Boiling Point:386.6°C at 760 mmHg
Flash Point:201.8°C
Density:1.111g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:220.109944368
Heavy Atom Count:16
Complexity:262

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(CCC(=O)C1=CC=CC=C1)C(=O)O

Technology Process of 2,2-Dimethyl-5-oxo-5-phenylpentanoic acid

There total 4 articles about 2,2-Dimethyl-5-oxo-5-phenylpentanoic 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: 87.0%

: 58422-87-0
2,2-dimethyl-5-oxo-5-phenylpentanenitrile

: 2938-49-0
αα-dimethyl-γ-benzoyl-n-butyric acid

Guidance literature:: With potassium hydroxide; In ethanol; water; Inert atmosphere; Reflux;
DOI:10.1021/acs.orglett.8b04104

Reference yield:

: 2-Hydroxy-5-methyl-2-phenyl-hexanenitrile

: 2938-49-0
αα-dimethyl-γ-benzoyl-n-butyric acid

Guidance literature:: Multi-step reaction with 2 steps

1: dipotassium peroxodisulfate; tetrabutyl-ammonium chloride; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate / water / 13 h / Inert atmosphere; Irradiation

2: potassium hydroxide / water; ethanol / Inert atmosphere; Reflux

With dipotassium peroxodisulfate; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; tetrabutyl-ammonium chloride; potassium hydroxide; In ethanol; water;
DOI:10.1021/acs.orglett.8b04104