Methyl 2,5-dimethyl-delta-oxobenzenepentanoate

Base Information

Chemical Name:Methyl 2,5-dimethyl-delta-oxobenzenepentanoate
CAS No.:60438-86-0
Molecular Formula:C₁₄H₁₈O₃
Molecular Weight:234.295
Hs Code.:
DSSTox Substance ID:DTXSID901265553

Synonyms:Methyl 2,5-dimethyl-delta-oxobenzenepentanoate;SCHEMBL16796728;DTXSID901265553;60438-86-0;methyl 5-(2,5-dimethylphenyl)-5-oxopentanoate

Suppliers and Price of Methyl 2,5-dimethyl-delta-oxobenzenepentanoate

Supply Marketing:

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

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Chemical Property of Methyl 2,5-dimethyl-delta-oxobenzenepentanoate

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:234.125594432
Heavy Atom Count:17
Complexity:273

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=C(C=C1)C)C(=O)CCCC(=O)OC

Technology Process of Methyl 2,5-dimethyl-delta-oxobenzenepentanoate

There total 1 articles about Methyl 2,5-dimethyl-delta-oxobenzenepentanoate 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: 70.0%

: 1501-26-4
methyl 4-(chlorocarbonyl)butyrate

: 106-42-3
para-xylene

: 60438-86-0
methyl 5-(2,5-dimethylphenyl)-5-oxopentanoate

Guidance literature:: With aluminum (III) chloride; at 20 ℃; for 3h;

Reference yield:

: 60438-86-0
methyl 5-(2,5-dimethylphenyl)-5-oxopentanoate

: 60438-89-3
5-[4-(4-Carboxy-butyl)-2,5-dimethyl-phenyl]-pentanoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: (i) N₂H₄*H₂O, KOH, triethylene glycol, (heating), (ii) /BRN= 1098229/, H₂SO₄

2: AlCl₃

3: (i) N₂H₄*H₂O, KOH, triethylene glycol, (heating), (ii) /BRN= 1098229/, H₂SO₄

4: KOH / methanol

With potassium hydroxide; aluminium trichloride; In methanol;
DOI:10.1021/jo00888a007

Reference yield:

: 60438-86-0
methyl 5-(2,5-dimethylphenyl)-5-oxopentanoate

: 6-(2,5-dimethylphenyl)piperidin-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: pyridine; hydroxylamine hydrochloride / 20 h / 60 °C / Sealed tube

2: hydrogen / ethanol / 48 h / 60 °C / Autoclave

With pyridine; hydroxylamine hydrochloride; hydrogen; In ethanol;