3,4-Dimethylfuran

Base Information

• Chemical Name: 3,4-Dimethylfuran
• CAS No.: 20843-07-6
• Molecular Formula: C6H8O
• Molecular Weight: 96.1289
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID30174960
• Nikkaji Number: J787.015I
• Wikidata: Q72470511
• Mol file: 20843-07-6.mol

Synonyms:3,4-dimethylfuran;20843-07-6;Furan, 3,4-dimethyl-;DTXSID30174960;IVHPMIPYSOTYNM-UHFFFAOYSA-N;AKOS030239789;FT-0667446;EN300-251360;A814966;J-013671

Chemical Property of 3,4-Dimethylfuran

Chemical Property:

• Vapor Pressure: 37.8mmHg at 25°C
• Melting Point: -62.8°C (estimate)
• Refractive Index: 1.45
• Boiling Point: 103.2 °C at 760 mmHg
• Flash Point: 6.6 °C
• PSA: 13.14000
• Density: 0.917g/cm³
• LogP: 1.89640
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 96.057514874
• Heavy Atom Count: 7
• Complexity: 53.2

Purity/Quality:

98%Min ^*data from raw suppliers

3,4-Dimethylfuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=COC=C1C

Technology Process of 3,4-Dimethylfuran

There total 8 articles about 3,4-Dimethylfuran 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: 30.0%

3,4-dimethyl-5H-furan-2-one (1575-46-8) → 3,4-dimethylfuran (20843-07-6)

Guidance literature:

With diisobutylaluminium hydride; In diethyl ether; hexane; at -20 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.tet.2012.09.070 DOI:10.1016/j.tet.2012.09.070

Reference yield:

3-hydroxylmethyl-4-methyltetrahydrofuran (22600-87-9) → 3,4-dimethylfuran (20843-07-6)

Guidance literature:

aluminium; at 310 - 330 ℃; for 0.5h;

Reference yield:

4-methyl-furan-3-carbaldehyde hydrazone → 3,4-dimethylfuran (20843-07-6)

Guidance literature:

With sodium methylate;

DOI:10.1002/hlca.19330160107

upstream raw materials:

3-methylfuran

Methyl fluoride

3-hydroxylmethyl-4-methyltetrahydrofuran

4-methyl-3-furaldehyde

Downstream raw materials:

(1S,5R,6R)-6-(2-Benzyloxy-ethyl)-4,5-dimethyl-2,7-dioxa-bicyclo[3.2.0]hept-3-ene

(1R,5S,6S)-4,5-Dimethyl-6-phenyl-2,7-dioxa-bicyclo[3.2.0]hept-3-ene

(+/-)-asteltoxin

8(R,S)-ethyl-7(R,S)-hydroxy-5(R,S)-(1(S,R)-hydroxy-6-(phenylsulfinyl)-(E,E)-hexa-2,4-dien-1-yl)-3,3,6(R,S),7-tetramethyl-1(R,S)-2,4,9-trioxabicyclo<4.3.0>nonane

Refernces

• 1、 Monta?a, ángel M.,Grima, Pedro M.,Castellví, María,Batalla, Consuelo,Font-Bardia, Mercè. "Cycloaddition of C-3 substituted furans. Stereoselectivity induced by coordination effects". . p. 9982 - 9998. Retrieved 2013/01/14.
• 2、 Cecchi, Patrizio,Pizzabiocca, Adriano,Renzi, Gabriele,Sparapani, Cinzia,Speranza, Maurizio. "Gas-phase heteroaromatic substitution. 14. Attack of dimethylfluoronium ion on 2- and 3-methyl-pyrroles, -furans, -and thiophenes". . p. 2094 - 2103. Retrieved 2007/10/02.