Ethyl 6-bromobenzofuran-3-carboxylate

Base Information

• Chemical Name: Ethyl 6-bromobenzofuran-3-carboxylate
• CAS No.: 1260799-56-1
• Molecular Formula: C11H9BrO3
• Molecular Weight: 269.095
• DSSTox Substance ID: DTXSID80598450
• Wikidata: Q82494212
• Mol file: 1260799-56-1.mol

Synonyms:ETHYL 6-BROMOBENZOFURAN-3-CARBOXYLATE;1260799-56-1;ethyl 6-bromo-1-benzofuran-3-carboxylate;ETHYL6-BROMOBENZOFURAN-3-CARBOXYLATE;SCHEMBL2728922;DTXSID80598450;ZYGDLJJVXPJIBH-UHFFFAOYSA-N;MFCD16036915;AKOS027254427;AS-41892;DA-13310;CS-0443656;EN300-7419357;A934408;Z1509649539

Chemical Property of Ethyl 6-bromobenzofuran-3-carboxylate

Chemical Property:

• Boiling Point: 328.3±22.0 °C(Predicted)
• PSA: 39.44000
• Density: 1.520±0.06 g/cm3(Predicted)
• LogP: 3.37200
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 267.97351
• Heavy Atom Count: 15
• Complexity: 244

Purity/Quality:

95% ^*data from raw suppliers

Ethyl6-Bromobenzofuran-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=COC2=C1C=CC(=C2)Br

Technology Process of Ethyl 6-bromobenzofuran-3-carboxylate

There total 1 articles about Ethyl 6-bromobenzofuran-3-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%

diazoacetic acid ethyl ester (623-73-4) + 4-bromosalicylaldehyde (22532-62-3) → ethyl 6-bromo-1-benzofuran-3-carboxylate (1260799-56-1)

Guidance literature:

diazoacetic acid ethyl ester; 4-bromosalicylaldehyde; With boron trifluoride diethyl etherate; In dichloromethane; for 2.2h;

With sulfuric acid;

DOI:10.1016/j.bmc.2012.12.035

Reference yield: 59.0%

ethyl 6-bromo-1-benzofuran-3-carboxylate (1260799-56-1) + C22H24F4N2O3 → C33H32F4N2O5S

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; XPhos; at 110 ℃; for 10h;

DOI:10.1021/acs.jmedchem.0c01065

Reference yield: 50.0%

ethyl 6-bromo-1-benzofuran-3-carboxylate (1260799-56-1) + 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(((4-fluoropiperidin-4-yl)methoxy)-methyl)isoxazole → C30H29Cl2FN2O5

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; XPhos; at 110 ℃; for 10h;

DOI:10.1021/acs.jmedchem.0c01065

upstream raw materials:

diazoacetic acid ethyl ester

4-bromosalicylaldehyde

Downstream raw materials:

(6-{2-[4-(2-dimethylamino-ethoxy)-phenyl]-5-pyridin-4-yl-3H-imidazol-4-yl}-benzofuran-3-yl)-methanol

C₂₇H₂₅N₅O₃

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