2-(4-Methylphenyl)furan

Base Information

• Chemical Name: 2-(4-Methylphenyl)furan
• CAS No.: 17113-32-5
• Molecular Formula: C11H10O
• Molecular Weight: 158.2
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID90464298
• Nikkaji Number: J757.579C
• Wikidata: Q82289577
• Mol file: 17113-32-5.mol

Synonyms:2-(4-methylphenyl)furan;17113-32-5;2-(p-tolyl)furan;2-p-Tolyl-furan;2-(4-tolyl)furan;SCHEMBL3695550;DTXSID90464298;NUCCVVARGOJARG-UHFFFAOYSA-N;AKOS004116614;BB 0223290

Chemical Property of 2-(4-Methylphenyl)furan

Chemical Property:

• Boiling Point: 67-68 °C(Press: 0.8 Torr)
• PSA: 13.14000
• Density: 1.028±0.06 g/cm3(Predicted)
• LogP: 3.25500
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 158.073164938
• Heavy Atom Count: 12
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

2-(4-METHYL PHENYL)FURAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=CC=CO2

Technology Process of 2-(4-Methylphenyl)furan

There total 43 articles about 2-(4-Methylphenyl)furan 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: 97.0%

2-bromofuran (584-12-3) + 4-methylphenylboronic acid (5720-05-8) → 2-(4-methylphenyl)furan (17113-32-5)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In water; N,N-dimethyl-formamide; at 75 - 85 ℃; Inert atmosphere;

DOI:10.1055/s-0030-1259484

Reference yield: 94.0%

1-(4-methylphenyl)-2,3-butadien-1-one (378186-93-7) → 2-(4-methylphenyl)furan (17113-32-5)

Guidance literature:

With Au-TiO₂; acetic acid; In dichloromethane; at 25 ℃; for 0.166667h;

DOI:10.1021/acs.orglett.9b01869

Reference yield: 93.0%

5-hydroxymethyl-3-p-tolyl-Δ2-isoxazoline (264607-26-3) → 2-(4-methylphenyl)furan (17113-32-5)

Guidance literature:

With acetic acid; zinc; In water; at 100 ℃; for 3h;

upstream raw materials:

furan

para-bromotoluene

4-methylbenzenediazonium tetrafluoroborate

p-toluidine

Downstream raw materials:

bis(5-(p-tolyl)furan-2-yl)methane

Dimethyl-(5-p-tolyl-furan-2-ylmethyl)-amine; hydrochloride

4,5-dimethoxy-2-[5-(4-methylphenyl)-2-furyl(phenyl)methyl]-1-(4-methylphenylsulfonamido)benzene

dimethyl 3-hydroxy-6-(4-methylphenyl)phthalate

Refernces

• 1、 -. "Synthesis method of monosubstituted or disubstituted furan derivatives". Paragraph 0036-0038. . Retrieved 2021/09/29.
• 2、 Kalay, Erbay,Kü?ükke?eci, Hüseyin,Kilic, Haydar,Metin, ?nder. "Black phosphorus as a metal-free, visible-light-active heterogeneous photoredox catalyst for the direct C-H arylation of heteroarenes". supporting information. p. 5901 - 5904. Retrieved 2020/06/04.