2,3-Dimethylbenzofuran

Base Information

• Chemical Name: 2,3-Dimethylbenzofuran
• CAS No.: 3782-00-1
• Molecular Formula: C10H10O
• Molecular Weight: 146.189
• Hs Code.: 2932999099
• European Community (EC) Number: 223-245-7
• UNII: IGH41K1QPK
• DSSTox Substance ID: DTXSID6063191
• Nikkaji Number: J217.680G
• Wikidata: Q27280715
• Metabolomics Workbench ID: 45929
• Mol file: 3782-00-1.mol

Synonyms:2,3-Dimethylbenzofuran;3782-00-1;2,3-dimethyl-1-benzofuran;Benzofuran, 2,3-dimethyl-;FEMA No. 3535;2,3-Dimethyl benzofuran;2,3-Dimethyl-Benzofuran;EINECS 223-245-7;UNII-IGH41K1QPK;IGH41K1QPK;2,3-Dimethylcoumarone;2,3-dimethylbenzo[b]furan;2,3-dimethyl-1-benzouran;Benzofurano, 2,3-dimetil-;SCHEMBL183071;DTXSID6063191;FEMA 3535;CHEBI:173615;DIMETHYLBENZOFURAN, 2,3-;BBL103693;GEO-01156;MFCD00078708;STL557503;AKOS005254592;2,3-DIMETHYLBENZOFURAN [FHFI];LS-2676;AM806741;MS-20681;CS-0210739;FT-0609709;E77675;A874004;J-640028;J-800030;W-200334;Q27280715

Chemical Property of 2,3-Dimethylbenzofuran

Chemical Property:

• Appearance/Colour: clear colorless to pale yellow liquid
• Vapor Pressure: 0.101mmHg at 25°C
• Refractive Index: n20/D 1.554(lit.)
• Boiling Point: 230.2 °C at 760 mmHg
• Flash Point: 93.7 °C
• PSA: 13.14000
• Density: 1.052 g/cm³
• LogP: 3.04960
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 146.073164938
• Heavy Atom Count: 11
• Complexity: 144

Purity/Quality:

97% ^*data from raw suppliers

2,3-Dimethylbenzofuran ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC2=CC=CC=C12)C
• Uses: 2,3-Dimethylbenzofuran can be used as a drug storage packing containing antiviral and antibacterial properties.

Technology Process of 2,3-Dimethylbenzofuran

There total 33 articles about 2,3-Dimethylbenzofuran 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: 90.0%

C10H11IO → 2,3-dimethylbenzofuran (3782-00-1)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; triethylamine; In acetonitrile; at 80 ℃; for 24h;

DOI:10.1016/j.tetlet.2019.06.054

Reference yield: 80.0%

3-phenyloxy-2-butanone (6437-85-0) → 2,3-dimethylbenzofuran (3782-00-1)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at 20 ℃; Solvent; Inert atmosphere;

Reference yield: 77.0%

3-chloro-2-butanone (4091-39-8) + phenol (108-95-2,27073-41-2) → 2,3-dimethylbenzofuran (3782-00-1)

Guidance literature:

With titanium tetrachloride; In 2,2,2-trifluoroethanol; Inert atmosphere; Reflux;

upstream raw materials:

pyridine

2-methyl-3-methylene-2,3-dihydro-benzofuran-2-carboxylic acid

2-methylbenzofuran-3-carboxaldehyde

3-phenyloxy-2-butanone

Downstream raw materials:

o-acetoxyacetophenone

2-acetyl-2-methyl-1,3-benzodioxole

2,3-dihydro-3-methylene-2-methylbenzofuran-2-ol

C₂₀H₂₀O₆

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