3-(5-Methyl-2-furyl)butanal

Base Information

• Chemical Name: 3-(5-Methyl-2-furyl)butanal
• CAS No.: 31704-80-0
• Deprecated CAS: 123821-11-4
• Molecular Formula: C9H12O2
• Molecular Weight: 152.193
• Hs Code.: 2932190090
• European Community (EC) Number: 250-771-4
• UNII: HMR4SK847T
• DSSTox Substance ID: DTXSID10865607
• Nikkaji Number: J278.174C
• Wikidata: Q27280010
• Metabolomics Workbench ID: 47232
• Mol file: 31704-80-0.mol

Synonyms:31704-80-0;3-(5-Methyl-2-furyl)butanal;3-(5-methylfuran-2-yl)butanal;3-(5-Methyl-2-furyl)butyraldehyde;FEMA No. 3307;3-(5-Methyl-2-furanyl)butanal;2-Furanpropanal, .beta.,5-dimethyl-;UNII-HMR4SK847T;HMR4SK847T;beta5-Dimethyl-2-furanpropanal;2-Furanpropanal, beta5-dimethyl-;2-Furanpropanal, beta,5-dimethyl-;EINECS 250-771-4;beta5-Dimethyl-2-furanpropionaldehyde;beta,5-Dimethylfuran-2-propionaldehyde;2-Furanpropionaldehyde, beta5-dimethyl-;2-Furanpropionaldehyde, .beta.,5-dimethyl-;b,5-Dimethyl-2-furanpropanal;SCHEMBL1532417;3-(5-methyluran-2-yl)butanal;beta,5-Dimethyl-2-furanpropanal;FEMA 3307;DTXSID10865607;3-(5-METHYLFURYL)BUTANAL;CHEBI:179255;DFSVNSCDOZSUCT-UHFFFAOYSA-N;MFCD00209519;3-(5-methyl-2-furyl)-butyraldehyde;AKOS022634850;3-(5-METHYL-2-FURYL) BUTANAL;3-(5-METHYL-2-FURYL)-BUTANAL;3-(5-Methyl-2-furyl)butanal, >=99%;AS-81358;.BETA.,5-DIMETHYL-2-FURANPROPANAL;3-(5-METHYLFURAN-2-YL)BUTYRALDEHYDE;FT-0728985;3-(5-METHYL-2-FURYL)BUTANAL [FHFI];[rac]-3-(5-methyl-furan-2-yl)-butyraldehyde;(+/-)-3-(5-METHYL-2-FURYL) BUTANAL;Q27280010

Chemical Property of 3-(5-Methyl-2-furyl)butanal

Chemical Property:

• Appearance/Colour: Colourless liquid; Vegetable, fruity aroma
• Vapor Pressure: 1.3mmHg at 25°C
• Refractive Index: n20/D 1.472(lit.)
• Boiling Point: 172.9 °C at 760 mmHg
• Flash Point: 66.9 °C
• PSA: 30.21000
• Density: 0.998 g/cm³
• LogP: 2.28050
• Sensitive.: Air Sensitive
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(5-Methyl-2-furyl)butyraldehyde ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(O1)C(C)CC=O
• Uses: 3-(5-Methyl-2-furyl)butyraldehyde can be used as antiviral agents.

Technology Process of 3-(5-Methyl-2-furyl)butanal

There total 3 articles about 3-(5-Methyl-2-furyl)butanal 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: 53.0%

2-methylfuran (534-22-5) + trans-Crotonaldehyde (123-73-9,4170-30-3) → 3-(5-methyl-2-furyl)butyraldehyde (31704-80-0)

Guidance literature:

With sulfuric acid; hydroquinone;

Reference yield:

2-methylfuran (534-22-5) + cis-crotonaldehyde (15798-64-8,4170-30-3) → 3-(5-methyl-2-furyl)butyraldehyde (31704-80-0)

Guidance literature:

DOI:10.1016/S0040-4039(01)92897-7

Reference yield:

→ 3-(5-methyl-2-furyl)butyraldehyde (31704-80-0)

Guidance literature:

aus 2-Methyl-furan, Crotonaldehyd, wss. H2SO4;

upstream raw materials:

2-methylfuran

trans-Crotonaldehyde

cis-crotonaldehyde

Refernces

• 1、 Rogers, Christine,Keay, Brian A.. "Diastereoselective intramolecular Diels-Alder reactions of the furan diene: the synthesis of (+/-)-1,4-epoxycadinane". . p. 611 - 622. Retrieved 2007/10/02.
• 2、 ApSimon, J.,Srinivasan, V. Seenu,L'Abbe, M. R.,Seguin, R.. "THE BF3-CATALYSED REACTION BETWEEN 2-METHYLFURAN AND SOME α,β-UNSATURATED CARBONYL COMPOUNDS.". . p. 1079 - 1081. Retrieved 2007/10/02.