2-Methyl-5-phenyl-3-furaldehyde

Base Information

• Chemical Name: 2-Methyl-5-phenyl-3-furaldehyde
• CAS No.: 321309-42-6
• Molecular Formula: C12H10 O2
• Molecular Weight: 186.21
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID80383621
• Wikidata: Q82175408
• Mol file: 321309-42-6.mol

Synonyms:2-methyl-5-phenyl-3-furaldehyde;321309-42-6;2-methyl-5-phenylfuran-3-carbaldehyde;SCHEMBL3104199;DTXSID80383621;QRBXYIYZWZGINC-UHFFFAOYSA-N;MFCD02681964;AKOS006343244;2-methyl-5-phenyl-furan-3-carbaldehyde;2-methyl-5-phenyl-3-furancarboxaldehyde;MS-22142;FT-0612987;2-methyl-5-phenyl-3-furaldehyde, AldrichCPR;A821151;J-510011

Chemical Property of 2-Methyl-5-phenyl-3-furaldehyde

Chemical Property:

• Vapor Pressure: 0.000982mmHg at 25°C
• Melting Point: 49 °C
• Refractive Index: 1.575
• Boiling Point: 302.6°C at 760 mmHg
• Flash Point: 99.4°C
• PSA: 30.21000
• Density: 1.125g/cm³
• LogP: 3.06750
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.068079557
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

98%min ^*data from raw suppliers

2-methyl-5-phenyl-3-furaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-36-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(O1)C2=CC=CC=C2)C=O

Technology Process of 2-Methyl-5-phenyl-3-furaldehyde

There total 2 articles about 2-Methyl-5-phenyl-3-furaldehyde 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: 80.0%

1-(3-(phenylethynyl)oxiran-2-yl)ethan-1-one → 2-methyl-5-phenylfuran-3-carbaldehyde (321309-42-6)

Guidance literature:

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; silver tetrafluoroborate; In dichloromethane; at 20 ℃; Darkness; Inert atmosphere;

DOI:10.1002/adsc.201600938

Reference yield: 78.0%

3-(hydroxymethyl)-2-methyl-5-phenylfuran (111787-91-8) → 2-methyl-5-phenylfuran-3-carbaldehyde (321309-42-6)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 0 ℃; for 2h; Product distribution / selectivity;

Reference yield: 93.0%

n-butyl magnesium bromide (693-03-8) + 2-methyl-5-phenylfuran-3-carbaldehyde (321309-42-6) → 1-(2-methyl-5-phenylfuran-3-yl)pentan-1-ol (1150225-35-6)

Guidance literature:

n-butyl magnesium bromide; 2-methyl-5-phenylfuran-3-carbaldehyde; In tetrahydrofuran; at 0 ℃;

With hydrogenchloride; lithium hydroxide; In tetrahydrofuran;

upstream raw materials:

3-(hydroxymethyl)-2-methyl-5-phenylfuran

Downstream raw materials:

1-(2-methyl-5-phenylfuran-3-yl)pentan-1-ol

3-methyl-1-(2-methyl-5-phenylfuran-3-yl)butan-1-ol

cyclobutyl(2-methyl-5-phenylfuran-3-yl)methanol

cyclopentyl(2-methyl-5-phenylfuran-3-yl)methanol

Refernces

• 1、 -. "HETEROCYCLIC COMPOUND". Page/Page column 113. . Retrieved 2010/08/07.