2-(2-Bromo-4,5-dimethoxyphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole

Base Information

Chemical Name:2-(2-Bromo-4,5-dimethoxyphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CAS No.:56658-14-1
Molecular Formula:C13H16BrNO3
Molecular Weight:314.179
Hs Code.:
DSSTox Substance ID:DTXSID40488267
Wikidata:Q82330828

Synonyms:56658-14-1;SCHEMBL11833922;DTXSID40488267;ILZYXPIIYMNWEE-UHFFFAOYSA-N;2-(2-Bromo-4,5-dimethoxyphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole;2-(2-bromo-4,5-dimethoxyphenyl)-4,4-dimethyl-2-oxazoline

Suppliers and Price of 2-(2-Bromo-4,5-dimethoxyphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole

Supply Marketing:

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

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Chemical Property of 2-(2-Bromo-4,5-dimethoxyphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:313.03136
Heavy Atom Count:18
Complexity:332

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(COC(=N1)C2=CC(=C(C=C2Br)OC)OC)C

Technology Process of 2-(2-Bromo-4,5-dimethoxyphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole

There total 5 articles about 2-(2-Bromo-4,5-dimethoxyphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole 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:

: 56658-13-0
2-bromo-N-(2-hydroxy-1,1-dimethyl-ethyl)-4,5-dimethoxy-benzamide

: 56658-14-1
2-(2-bromo-4,5-dimethoxy-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole

Guidance literature:: With thionyl chloride; In toluene;
DOI:10.1021/jm00233a012

Reference yield:

: C₁₃H₁₇BrClNO₃

: 56658-14-1
2-(2-bromo-4,5-dimethoxy-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole

Guidance literature:: With sodium hydroxide; In methanol; for 1h; Reflux;
DOI:10.1021/jacs.7b13492

Reference yield:

: 6286-46-0
2-bromo-4,5-dimethoxybenzoic acid

: 56658-14-1
2-(2-bromo-4,5-dimethoxy-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole

Guidance literature:: Multi-step reaction with 4 steps

1: N,N-dimethyl-formamide; oxalyl dichloride / dichloromethane / 0 - 20 °C / Inert atmosphere

2: triethylamine / 1,4-dioxane / 1 h / 0 - 20 °C / Inert atmosphere

3: thionyl chloride / toluene / 3 h / Inert atmosphere; Reflux

4: sodium hydroxide / methanol / 1 h / Reflux

With thionyl chloride; oxalyl dichloride; triethylamine; N,N-dimethyl-formamide; sodium hydroxide; In 1,4-dioxane; methanol; dichloromethane; toluene;
DOI:10.1021/jacs.7b13492