4-Methyl-5-[methyl(phenyl)amino]-5-oxopentanoic acid

Base Information

Chemical Name:4-Methyl-5-[methyl(phenyl)amino]-5-oxopentanoic acid
CAS No.:820244-27-7
Molecular Formula:C13H17NO3
Molecular Weight:235.283
Hs Code.:
DSSTox Substance ID:DTXSID30514529

Synonyms:820244-27-7;4-Methyl-5-[methyl(phenyl)amino]-5-oxopentanoic acid;DTXSID30514529

Suppliers and Price of 4-Methyl-5-[methyl(phenyl)amino]-5-oxopentanoic 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
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price

Total 1 raw suppliers

Chemical Property of 4-Methyl-5-[methyl(phenyl)amino]-5-oxopentanoic acid

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:235.12084340
Heavy Atom Count:17
Complexity:272

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 4-Methyl-5-[methyl(phenyl)amino]-5-oxopentanoic acid

There total 3 articles about 4-Methyl-5-[methyl(phenyl)amino]-5-oxopentanoic 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: 73.0%

: 820244-25-5
5-hydroxy-2,N-dimethyl-N-phenylpentanamide

: 820244-27-7
4-methyl-5-[methyl(phenyl)amino]-5-oxopentanoic acid

Guidance literature:: With ruthenium trichloride; sodium periodate; In water; ethyl acetate; acetonitrile; at 20 ℃; for 4h;
DOI:10.1002/hlca.200490226

Reference yield:

: 73746-79-9,80698-15-3,107242-87-5,10603-03-9,823-22-3
α-methyl-δ-valerolactone

: 820244-27-7
4-methyl-5-[methyl(phenyl)amino]-5-oxopentanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 88 percent / AlCl₃ / 1,2-dichloro-ethane / 5 h / 15 - 25 °C

2: 73 percent / NaIO₄; RuCl₃*H₂O / acetonitrile; ethyl acetate; H₂O / 4 h / 20 °C

With ruthenium trichloride; sodium periodate; aluminium trichloride; In water; ethyl acetate; 1,2-dichloro-ethane; acetonitrile;
DOI:10.1002/hlca.200490226

Reference yield:

: 542-28-9,26354-94-9
3,4,5,6-tetrahydro-2H-pyran-2-one

: 820244-27-7
4-methyl-5-[methyl(phenyl)amino]-5-oxopentanoic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: LDA / tetrahydrofuran / 1 h / -65 - -60 °C

1.2: 44 percent / 1,3-dimethylimidazolidin-2-one / tetrahydrofuran / 4 h / -65 °C

2.1: 88 percent / AlCl₃ / 1,2-dichloro-ethane / 5 h / 15 - 25 °C

3.1: 73 percent / NaIO₄; RuCl₃*H₂O / acetonitrile; ethyl acetate; H₂O / 4 h / 20 °C

With ruthenium trichloride; sodium periodate; aluminium trichloride; lithium diisopropyl amide; In tetrahydrofuran; water; ethyl acetate; 1,2-dichloro-ethane; acetonitrile;
DOI:10.1002/hlca.200490226