2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy-

Base Information

Chemical Name:2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy-
CAS No.:57855-18-2
Molecular Formula:C11H14O3
Molecular Weight:194.23
Hs Code.:
DSSTox Substance ID:DTXSID00206565
Nikkaji Number:J705.313D
Wikidata:Q83080402
Metabolomics Workbench ID:134162
ChEMBL ID:CHEMBL443690

Synonyms:57855-18-2;2-Butyl-6-methoxy-2,5-cyclohexadiene-1,4-dione;2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy-;CHEMBL443690;JTNZEYFXPDFBBF-UHFFFAOYSA-;DTXSID00206565;2-Butyl-6-methoxy-1,4-benzoquinone;InChI=1/C11H14O3/c1-3-4-5-8-6-9(12)7-10(14-2)11(8)13/h6-7H,3-5H2,1-2H3

Suppliers and Price of 2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy-

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy-

Chemical Property:

Vapor Pressure:0.00105mmHg at 25°C
Boiling Point:301.5°Cat760mmHg
Flash Point:130.8°C
Density:1.08g/cm³
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:194.094294304
Heavy Atom Count:14
Complexity:311

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC1=CC(=O)C=C(C1=O)OC

Technology Process of 2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy-

There total 3 articles about 2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy- 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: 82.0%

: 130223-24-4
6-butyl-2-methoxyphenol

: 57855-18-2
6-butyl-2-methoxy-2,5-cyclohexadiene-1,4-dione

Guidance literature:: With salcomine; oxygen; In N,N-dimethyl-formamide; at 20 ℃; for 12h;
DOI:10.1021/jm0307943

Reference yield:

: 148-53-8
3-methoxy-2-hydroxybenzaldehyde

: 57855-18-2
6-butyl-2-methoxy-2,5-cyclohexadiene-1,4-dione

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) Mg / 1.) Et₂O, reflux, 30 min 2.) THF, rt, overnight

2: 84 percent / H₂ / 10percent Pd/C / ethanol

3: 55 percent / borate buffer pH 9, potassium nitrosodisulfonate (Fremy-salt) / ethanol; H₂O / 5 h

With potassium nitrososulfonate; borate buffer pH 9; hydrogen; magnesium; palladium on activated charcoal; In ethanol; water;

Reference yield:

: 2-(1-Hydroxy-butyl)-6-methoxy-phenol

: 57855-18-2
6-butyl-2-methoxy-2,5-cyclohexadiene-1,4-dione

Guidance literature:: Multi-step reaction with 2 steps

1: 84 percent / H₂ / 10percent Pd/C / ethanol

2: 55 percent / borate buffer pH 9, potassium nitrosodisulfonate (Fremy-salt) / ethanol; H₂O / 5 h

With potassium nitrososulfonate; borate buffer pH 9; hydrogen; palladium on activated charcoal; In ethanol; water;