Ethyl 5-bromo-4-isopropoxy-3-methylbenzofuran-2-carboxylate

Base Information

Chemical Name:Ethyl 5-bromo-4-isopropoxy-3-methylbenzofuran-2-carboxylate
CAS No.:857081-69-7
Molecular Formula:C15H17 Br O4
Molecular Weight:341.2
Hs Code.:
DSSTox Substance ID:DTXSID40699957
Wikidata:Q82631079
Mol file:857081-69-7.mol

Synonyms:857081-69-7;ETHYL 5-BROMO-4-ISOPROPOXY-3-METHYLBENZOFURAN-2-CARBOXYLATE;ethyl 5-bromo-4-isopropoxy-3-methylbenzo[b]furan-2-carboxylate;SCHEMBL3609992;DTXSID40699957;KRDNJGSDLJDNSQ-UHFFFAOYSA-N;ethyl 5-bromo-4-isopropoxy-3-methyl-1-benzofuran-2-carboxylate;Ethyl 5-bromo-3-methyl-4-[(propan-2-yl)oxy]-1-benzofuran-2-carboxylate

Suppliers and Price of Ethyl 5-bromo-4-isopropoxy-3-methylbenzofuran-2-carboxylate

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
Packaging
price

American Custom Chemicals Corporation
ETHYL-5-BROMO-4-ISOPROPOXY-3-METHYLBENZOFURAN-2-CARBOXYLATE 95.00%
5MG
$ 502.54

Total 3 raw suppliers

Chemical Property of Ethyl 5-bromo-4-isopropoxy-3-methylbenzofuran-2-carboxylate

Chemical Property:

PSA：48.67000
LogP:4.46760
XLogP3:4.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:340.03102
Heavy Atom Count:20
Complexity:347

Purity/Quality:

97% ^*data from raw suppliers

ETHYL-5-BROMO-4-ISOPROPOXY-3-METHYLBENZOFURAN-2-CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(C2=C(O1)C=CC(=C2OC(C)C)Br)C

Technology Process of Ethyl 5-bromo-4-isopropoxy-3-methylbenzofuran-2-carboxylate

There total 2 articles about Ethyl 5-bromo-4-isopropoxy-3-methylbenzofuran-2-carboxylate 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: 100.0%

: 73751-11-8
ethyl 5-bromo-4-hydroxy-3-methylbenzofuran-2-carboxylate

: 75-26-3
isopropyl bromide

: 857081-69-7
ethyl 5-bromo-4-isopropoxy-3-methyl-1-benzofuran-2-carboxylate

Guidance literature:: With potassium carbonate; bis-triphenylphosphine-palladium(II) chloride; In N,N-dimethyl-formamide; at 20 ℃; for 12h;
DOI:10.1016/j.bmc.2005.07.076

Reference yield:

: 3781-69-9
4-hydroxy-3-methyl-benzofuran-2-carboxylic acid ethyl ester

: 857081-69-7
ethyl 5-bromo-4-isopropoxy-3-methyl-1-benzofuran-2-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 67 percent / N-bromosuccinimide / CCl₄ / 3 h / 0 °C

2: 100 percent / K₂CO₃ / PdCl₂(PPh₃)2 / dimethylformamide / 12 h / 20 °C

With N-Bromosuccinimide; potassium carbonate; bis-triphenylphosphine-palladium(II) chloride; In tetrachloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.bmc.2005.07.076

Reference yield:

: 857081-69-7
ethyl 5-bromo-4-isopropoxy-3-methyl-1-benzofuran-2-carboxylate

: (R)-2-[4'-(5-Bromo-4-isopropoxy-3-methyl-benzofuran-2-ylmethoxy)-biphenyl-4-sulfonylamino]-3-methyl-butyric acid

Guidance literature:: Multi-step reaction with 5 steps

1: 87 percent / NaOH / tetrahydrofuran; methanol / 1 h

2: 81 percent / BH₃*THF / tetrahydrofuran / 12 h / 20 °C

3: thionyl chloride / CH₂Cl₂ / 2 h

4: 21 percent / K₂CO₃ / dimethylformamide / 12 h / 20 °C

5: 83 percent / LiOH / tetrahydrofuran; methanol; H₂O / 12 h

With lithium hydroxide; sodium hydroxide; thionyl chloride; borane-THF; potassium carbonate; In tetrahydrofuran; methanol; dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1016/j.bmc.2005.07.076