5-Propylfuran-2-carbaldehyde

Base Information

• Chemical Name: 5-Propylfuran-2-carbaldehyde
• CAS No.: 14497-27-9
• Molecular Formula: C8H10O2
• Molecular Weight: 138.16
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID80424689
• Wikidata: Q82237364
• Mol file: 14497-27-9.mol

Synonyms:5-propylfuran-2-carbaldehyde;5-Propyl-furan-2-carbaldehyde;14497-27-9;5-Propyl-2-furaldehyde;5-propylfurfural;5-propyl-2-furancarboxaldehyde;SCHEMBL8640022;DTXSID80424689;VRUAYAKBONDNBE-UHFFFAOYSA-N;MFCD08144844;AKOS000296100;SB61927;BS-35724;5-Propyl-furan-2-carbaldehyde, AldrichCPR

Chemical Property of 5-Propylfuran-2-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.106mmHg at 25°C
• Melting Point: 100-101 °C
• Refractive Index: 1.504
• Boiling Point: 221.6 °C at 760 mmHg
• Flash Point: 76.1 °C
• PSA: 30.21000
• Density: 1.037 g/cm³
• LogP: 2.04460
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 112

Purity/Quality:

98%Min ^*data from raw suppliers

5-Propyl-2-furancarboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC=C(O1)C=O
• Uses: 5-Propyl-furan-2-carbaldehyde can be used as an inhibitor for Hepatitis C virus NS5B polymerase.

Technology Process of 5-Propylfuran-2-carbaldehyde

There total 11 articles about 5-Propylfuran-2-carbaldehyde 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: 83.0%

ethylmagnesium chloride (2386-64-3) + 2-(chloromethyl)-5-(dibutoxymethyl)furan (126080-78-2) → 5-propylfuran-2-carbaldehyde (14497-27-9)

Guidance literature:

With bis(acetylacetonate)nickel(II); Allyl ether; In tetrahydrofuran; at -30 ℃; for 1h; Inert atmosphere;

Reference yield: 75.0%

2-propylfuran (4229-91-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-propylfuran-2-carbaldehyde (14497-27-9)

Guidance literature:

N,N-dimethyl-formamide; With trichlorophosphate; at 70 ℃; for 1h;

2-propylfuran; at 10 ℃; for 3h;

DOI:10.1021/jo048179+

Reference yield: 75.0%

5-(n-propyl)furfuraldehyde oxime (89114-37-4) → 5-propylfuran-2-carbaldehyde (14497-27-9)

Guidance literature:

With benzeneselenic anhydride; In dichloromethane;

DOI:10.1016/S0040-4039(00)94107-8

upstream raw materials:

5-(n-propyl)furfuraldehyde oxime

2-(diethoxymethyl)furan

propyl bromide

2-propylfuran

Downstream raw materials:

2-ethyl-3-oxocyclopent-1-enecarbaldehyde

Refernces

• 1、 -. "PREPARATION OF FURAN FATTY ACIDS FROM 5-(CHLOROMETHYL)FURFURAL". Paragraph 0085. . Retrieved 2017/04/11.
• 2、 Starling, Sergia M.,Raslan, Delio S.,De Oliveira, Alaide B.. "Synthesis of 2-substituted furanonaphthoquinones using directed metalation and cross coupling reactions". . p. 1013 - 1030. Retrieved 2007/10/03.