2-Bromo-1-(2,5-dimethylfuran-3-yl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(2,5-dimethylfuran-3-yl)ethanone
• CAS No.: 133674-62-1
• Molecular Formula: C8H9BrO2
• Molecular Weight: 217.06000
• DSSTox Substance ID: DTXSID40595122
• Wikidata: Q82490065
• Mol file: 133674-62-1.mol

Synonyms:133674-62-1;2-Bromo-1-(2,5-dimethylfuran-3-yl)ethanone;Ethanone, 2-bromo-1-(2,5-dimethyl-3-furanyl)- (9CI);2-Bromo-1-(2,5-dimethyl-3-furyl)ethanone;Ethanone, 2-bromo-1-(2,5-dimethyl-3-furanyl)-;SCHEMBL6368454;3-bromoacetyl-2,5-dimethylfuran;DTXSID40595122;HQTVWKCYEADULE-UHFFFAOYSA-N;AKOS017560343;DB-287333;2-Bromo-1-(2,5-dimethylfuran-3-yl)ethan-1-one

Chemical Property of 2-Bromo-1-(2,5-dimethylfuran-3-yl)ethanone

Chemical Property:

• Boiling Point: 246.7±35.0 °C(Predicted)
• PSA: 30.21000
• Density: 1.452±0.06 g/cm3(Predicted)
• LogP: 2.47400
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.97859
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(O1)C)C(=O)CBr

Technology Process of 2-Bromo-1-(2,5-dimethylfuran-3-yl)ethanone

There total 2 articles about 2-Bromo-1-(2,5-dimethylfuran-3-yl)ethanone 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: 78.0%

2,5-dimethyl-3-acetylfuran (10599-70-9) → 2-bromo-1-(2,5-dimethyl-furan-3-yl)ethanone (133674-62-1)

Guidance literature:

With copper(ll) bromide; In tetrahydrofuran; for 6h; Inert atmosphere; Reflux;

DOI:10.1002/jhet.1015

Reference yield:

2,5-dimethyl-3-acetylfuran (10599-70-9) → 2-bromo-1-(2,5-dimethyl-furan-3-yl)ethanone (133674-62-1) + 1-(2,5-dimethyl-furan-3-yl)-2-(methylamino)ethanol (556025-51-5)

Guidance literature:

With bromine; In 1,4-dioxane; diethyl ether;

Reference yield: 68.0%

2-bromo-1-(2,5-dimethyl-furan-3-yl)ethanone (133674-62-1) + 4-methoxy-aniline (104-94-9) → 1-(2,5-dimethyl-furan-3-yl)-2-(4-methoxy-phenylamino)-ethanone (859157-78-1)

Guidance literature:

With sodium carbonate; In ethanol; for 4h; Heating;

DOI:10.1021/jo050236r

upstream raw materials:

2,5-dimethyl-3-acetylfuran

Downstream raw materials:

1-(2,5-dimethyl-furan-3-yl)-2-(4-methoxy-phenylamino)-ethanone

1-(2,5-dimethyl-furan-3-yl)-2-[[2-(2,5-dimethyl-furan-3-yl)-2-oxo-ethyl]-(4-methoxy-phenyl)-amino]-ethanone

3,4-bis-(2,5-dimethyl-furan-3-yl)-1-(4-methoxy-phenyl)-2,5-dihydro-1H-pyrrole

2-[[2-(2,5-dimethyl-furan-3-yl)-2-oxo-ethyl]-(4-methoxy-phenyl)-amino]-1-(2,5-dimethyl-thiophen-3-yl)-ethanone

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