2-Butyl-5-methylfuran

Base Information

• Chemical Name: 2-Butyl-5-methylfuran
• CAS No.: 3857-27-0
• Molecular Formula: C9H14O
• Molecular Weight: 138.20700
• Hs Code.: 2932190090
• European Community (EC) Number: 667-627-5
• DSSTox Substance ID: DTXSID50391551
• Nikkaji Number: J1.596.436G
• Wikidata: Q82189085
• Mol file: 3857-27-0.mol

Synonyms:2-butyl-5-methylfuran;3857-27-0;Furan, 2-butyl-5-methyl-;SCHEMBL8143743;DTXSID50391551;AKOS024430606

Chemical Property of 2-Butyl-5-methylfuran

Chemical Property:

• PSA: 13.14000
• LogP: 2.93060
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 138.104465066
• Heavy Atom Count: 10
• Complexity: 90.7

Purity/Quality:

95% ^*data from raw suppliers

2-BUTYL-5-METHYLFURAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(O1)C

Technology Process of 2-Butyl-5-methylfuran

There total 5 articles about 2-Butyl-5-methylfuran 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: 90.0%

2-methylfuran (534-22-5) + 1-bromo-butane (109-65-9) → 2-butyl-5-methylfuran (3857-27-0)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; 1.) r.t., 4 h, 2.) 25, 4 h;

DOI:10.1021/jo00128a031

Reference yield: 61.0%

2-methylfuran (534-22-5) + 1-iodo-butane (542-69-8) → 2-butyl-5-methylfuran (3857-27-0)

Guidance literature:

2-methylfuran; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; Inert atmosphere;

1-iodo-butane; In tetrahydrofuran; hexane; for 24h; Inert atmosphere;

DOI:10.1039/c1gc15810d

Reference yield:

Non-4-yne-2,3-diol (958230-56-3) → 2-butyl-5-methylfuran (3857-27-0)

Guidance literature:

With silver(I) nitrate on silica gel; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1016/j.tetlet.2007.08.102

upstream raw materials:

1-(5-methylfuran-2-yl)butan-1-one

2-methylfuran

1-bromo-butane

Non-4-yne-2,3-diol

Downstream raw materials:

2-Butyl-5-methylthiophene

Refernces

• 1、 Kalaitzakis, Dimitris,Triantafyllakis, Myron,Alexopoulou, Ioanna,Sofiadis, Manolis,Vassilikogiannakis, Georgios. "One-pot transformation of simple furans into 4-Hydroxy-2-cyclopentenones in water". supporting information. p. 13201 - 13205. Retrieved 2015/02/19.
• 2、 Hayes, Simon J.,Knight, David W.,Menzies, Melanie D.,O'Halloran, Mark,Tan, Wen-Fei. "An efficient furan synthesis using heterogeneous catalysis". . p. 7709 - 7712. Retrieved 2008/03/30.