5-Methyl furfural

Base Information

• Chemical Name: 5-Methyl furfural
• CAS No.: 620-02-0
• Molecular Formula: C6H6O2
• Molecular Weight: 110.112
• Hs Code.: 29329995
• European Community (EC) Number: 210-622-6
• UNII: 4482BZC72D
• DSSTox Substance ID: DTXSID1060714
• Nikkaji Number: J37.047I
• Wikidata: Q22830264
• Metabolomics Workbench ID: 45848
• ChEMBL ID: CHEMBL2230304
• Mol file: 620-02-0.mol

Synonyms:2-Furaldehyde,5-methyl- (6CI,8CI);2-Formyl-5-methylfuran;2-Formyl-5-methyltetrahydrofuran;2-Methyl-5-formylfuran;2-Methyl-5-furaldehyde;5-Methyl-2-furaldehyde;5-Methyl-2-furancarboxaldehyde;5-Methyl-2-furfural;5-Methyl-2-furfuraldehyde;5-Methyl-2-furfurylaldehyde;5-Methylfuran-2-al;5-Methylfuran-2-aldehyde;5-Methylfuran-2-carbaldehyde;5-Methylfurfural;5-Methylfurfuraldehyde;

Chemical Property of 5-Methyl furfural

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Vapor Pressure: 0.644mmHg at 25°C
• Melting Point: 171 °C
• Refractive Index: n20/D 1.531
• Boiling Point: 187 °C at 760 mmHg
• Flash Point: 72.8 °C
• PSA: 30.21000
• Density: 1.099 g/cm³
• LogP: 1.40050
• Storage Temp.: Refrigerator
• Sensitive.: Air Sensitive
• Solubility.: 33g/l
• Water Solubility.: Soluble in alcohol and water.
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 110.036779430
• Heavy Atom Count: 8
• Complexity: 90.5

Purity/Quality:

97% ^*data from raw suppliers

5-Methylfurfural ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(O1)C=O
• Physical properties: colorless to light yellow liquid. soluble in benzene, toluene, carbon tetrachloride and other solvents, insoluble in water.
• Uses: 5-Methyl-2-furaldehyde is used as a perfuming agent. It is used a smoke with essence. 5-methylfurfural is an intermediate for the synthesis of s-bioallethrin and prallethrin.It used for blending coffee, chocolate, nuts, caramel, spices and on food fragrance. Used in the synthesis of pharmaceutical intermediates.

Technology Process of 5-Methyl furfural

There total 161 articles about 5-Methyl furfural 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:

D-Fructose (57-48-7,18875-34-8) + GLUTATHIONE (70-18-8) → Thiophene-2-thiol (7774-74-5) + Tetrahydrothiophen-3-one (1003-04-9) + 2-ethylthiophene (872-55-9) + 2-Methylpyrazine (109-08-0) + 5-Methylfurfural (620-02-0) + 2-thiophenethanol (5402-55-1) + 1-(2-furyl)-1-ethanone (1192-62-7,80145-44-4) + 2-methylthiophene-3-thiol (2527-76-6) + 2-Acetylpyrrole (1072-83-9) + 2-methylfuran-3-thiol (28588-74-1)

Guidance literature:

In water; at 160 ℃; for 2h; pH=7.5;

DOI:10.1021/jf9043327

Reference yield:

D-glucose (50-99-7) + GLUTATHIONE (70-18-8) → 1,3-thiazole (288-47-1) + Thiophene-2-thiol (7774-74-5) + Tetrahydrothiophen-3-one (1003-04-9) + furfural (98-01-1) + 2,5-DIMETHYLTHIOPHENE (638-02-8) + 5-Methylfurfural (620-02-0) + 1-(2-furyl)-1-ethanone (1192-62-7,80145-44-4) + 2-methylthiophene-3-thiol (2527-76-6) + 2-Acetylpyrrole (1072-83-9) + 2-methylfuran-3-thiol (28588-74-1)

Guidance literature:

In water; at 160 ℃; for 2h; pH=7.5;

DOI:10.1021/jf9043327

Reference yield:

D-fructose (470-23-5) → 2,5-dimethyltetrahydrofuran (1003-38-9) + 5-Methylfurfural (620-02-0) + 2,5-hexanedione (110-13-4)

Guidance literature:

With rhodium(III) chloride trihydrate; hydrogen iodide; hydrogen; In water; toluene; at 80 ℃; for 0.833333h; under 15514.9 Torr;

DOI:10.1002/chem.201201522

upstream raw materials:

2-methylfuran

hydrogen cyanide

N,N-dimethyl-formamide

N-methyl-N-phenylformamide

Downstream raw materials:

1-benzyl-3,5-bis-(5-methyl-furan-2-ylmethylene)-piperidin-4-one

(E)-2-(4-Chloro-phenyl)-3-(5-methyl-furan-2-yl)-acrylic acid

(Z)-2-(4-Chloro-phenyl)-3-(5-methyl-furan-2-yl)-acrylic acid

(E)-2-(4-Methoxy-phenyl)-3-(5-methyl-furan-2-yl)-acrylic acid

Refernces

• 1、 Tuteja, Jaya,Nishimura, Shun,Ebitani, Kohki. "One-pot synthesis of furans from various saccharides using a combination of solid acid and base catalysts". . p. 275 - 281. Retrieved 2012.
• 2、 Dutta, Saikat,Mascal, Mark. "Novel pathways to 2,5-Dimethylfuran via biomass-derived 5-(chloromethyl)furfural". . p. 3028 - 3030. Retrieved 2014.
• 3、 Zhan, Huan,Cui, Heping,Yu, Junhe,Hayat, Khizar,Wu, Xian,Zhang, Xiaoming,Ho, Chi-Tang. "Characteristic flavor formation of thermally processed N-(1-deoxy-α-D-ribulos-1-yl)-glycine: Decisive role of additional amino acids and promotional effect of glyoxal". . . Retrieved 2021/09/28.
• 4、 Hu, Bin,Warczinski, Lisa,Li, Xiaoyu,Lu, Mohong,Bitzer, Johannes,Heidelmann, Markus,Eckhard, Till,Fu, Qi,Schulwitz, Jonas,Merko, Mariia,Li, Mingshi,Kleist, Wolfgang,H?ttig, Christof,Muhler, Martin,Peng, Baoxiang. "Formic Acid-Assisted Selective Hydrogenolysis of 5-Hydroxymethylfurfural to 2,5-Dimethylfuran over Bifunctional Pd Nanoparticles Supported on N-Doped Mesoporous Carbon". supporting information. p. 6807 - 6815. Retrieved 2021/02/01.