1-Bromo-2,5-dimethoxy-4-(2-methylbut-3-yn-2-yloxy)benzene

Base Information

Chemical Name:1-Bromo-2,5-dimethoxy-4-(2-methylbut-3-yn-2-yloxy)benzene
CAS No.:557757-33-2
Molecular Formula:C13H15BrO3
Molecular Weight:299.164
Hs Code.:
DSSTox Substance ID:DTXSID101172007
Nikkaji Number:J1.889.401G

Synonyms:DTXSID101172007;557757-33-2;1-Bromo-4-[(1,1-dimethyl-2-propyn-1-yl)oxy]-2,5-dimethoxybenzene

Suppliers and Price of 1-Bromo-2,5-dimethoxy-4-(2-methylbut-3-yn-2-yloxy)benzene

Supply Marketing:

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

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Chemical Property of 1-Bromo-2,5-dimethoxy-4-(2-methylbut-3-yn-2-yloxy)benzene

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:298.02046
Heavy Atom Count:17
Complexity:294

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C#C)OC1=CC(=C(C=C1OC)Br)OC

Technology Process of 1-Bromo-2,5-dimethoxy-4-(2-methylbut-3-yn-2-yloxy)benzene

There total 3 articles about 1-Bromo-2,5-dimethoxy-4-(2-methylbut-3-yn-2-yloxy)benzene 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: 84.0%

: 95924-34-8
2,2-dimethyl-3-butynoic acid methyl ester

: 557757-32-1
4-bromo-2,5-dimethoxyphenol

: 557757-33-2
1-bromo-4-(1,1-dimethyl-prop-2-ynyloxy)-2,5-dimethoxy-benzene

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; copper dichloride; In acetonitrile; at 0 ℃; for 6h;
DOI:10.1016/S0040-4039(03)00629-4

Reference yield:

: 31558-41-5
4-bromo-2,5-dimethoxybenzaldehyde

: 557757-33-2
1-bromo-4-(1,1-dimethyl-prop-2-ynyloxy)-2,5-dimethoxy-benzene

Guidance literature:: Multi-step reaction with 2 steps

1.1: m-CPBA / CH₂Cl₂ / 4 h / 25 °C

1.2: 99 percent / aq. NaOH / methanol / 1 h / 25 °C

2.1: 84 percent / DBU; CuCl₂ / acetonitrile / 6 h / 0 °C

With 1,8-diazabicyclo[5.4.0]undec-7-ene; 3-chloro-benzenecarboperoxoic acid; copper dichloride; In dichloromethane; acetonitrile; 1.1: Baeyer-Villiger oxidation;
DOI:10.1016/S0040-4039(03)00629-4

Reference yield:

: 93-02-7
2,5-dimethoxybenzaldehyde

: 557757-33-2
1-bromo-4-(1,1-dimethyl-prop-2-ynyloxy)-2,5-dimethoxy-benzene

Guidance literature:: Multi-step reaction with 3 steps

1.1: 45 percent / Br₂ / acetic acid / 4 h / 25 °C

2.1: m-CPBA / CH₂Cl₂ / 4 h / 25 °C

2.2: 99 percent / aq. NaOH / methanol / 1 h / 25 °C

3.1: 84 percent / DBU; CuCl₂ / acetonitrile / 6 h / 0 °C

With bromine; 1,8-diazabicyclo[5.4.0]undec-7-ene; 3-chloro-benzenecarboperoxoic acid; copper dichloride; In dichloromethane; acetic acid; acetonitrile; 2.1: Baeyer-Villiger oxidation;
DOI:10.1016/S0040-4039(03)00629-4