2-Furancarboxylic acid, 2-methylpropyl ester

Base Information

• Chemical Name: 2-Furancarboxylic acid, 2-methylpropyl ester
• CAS No.: 20279-53-2
• Molecular Formula: C9H12 O3
• Molecular Weight: 168.192
• European Community (EC) Number: 882-028-0
• DSSTox Substance ID: DTXSID601300207
• Nikkaji Number: J561.409K
• Mol file: 20279-53-2.mol

Synonyms:20279-53-2;iso-butyl2-furoate;Iso-butyl 2-furoate;2-methylpropyl furan-2-carboxylate;isobutyl furan-2-carboxylate;2-Furancarboxylic acid, 2-methylpropyl ester;Isobutyl 2-furoate #;SCHEMBL11327740;2-Methylpropyl 2-furancarboxylate;DTXSID601300207;2-Furancarboxylic acid isobutyl ester;AKOS006243088;furan-2-carboxylic acid isobutyl ester;FT-0695806;EN300-25390319

Chemical Property of 2-Furancarboxylic acid, 2-methylpropyl ester

Chemical Property:

• Refractive Index: 1.4676 (estimate)
• Boiling Point: 222°C (estimate)
• Density: 1.0388
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 168.078644241
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

2-METHYLPROPYL FURAN-2-CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)COC(=O)C1=CC=CO1

Technology Process of 2-Furancarboxylic acid, 2-methylpropyl ester

There total 2 articles about 2-Furancarboxylic acid, 2-methylpropyl ester 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: 60.0%

Furfurol-di-isobutyl-acetal (91976-07-7) → furfural (98-01-1) + furfuryl-isobutyl ether (121529-95-1) + isobutyl furan-2-carboxylate (20279-53-2)

Guidance literature:

With boron trifluoride diethyl etherate; In 1,2-dichloro-ethane; at 0 ℃; for 0.25h;

Reference yield:

Furfurol-di-isobutyl-acetal (91976-07-7) → furfural (98-01-1) + isobutyl furan-2-carboxylate (20279-53-2)

Guidance literature:

With tin(IV) chloride; In 1,2-dichloro-ethane; at 0 ℃; for 0.25h; Yield given. Yields of byproduct given;

Reference yield: 58.0%

methanol (67-56-1) + isobutyl furan-2-carboxylate (20279-53-2) + chloroform (67-66-3,8013-54-5) → furan-2,5-dicarboxylic acid dimethyl ester (4282-32-0) + 2-isobutyl 5-methyl furan-2,5-dicarboxylate

Guidance literature:

With tert-Butyl peroxybenzoate; copper diacetate; at 120 ℃; for 12h; Sealed tube;

DOI:10.1021/acs.orglett.0c00582

upstream raw materials:

Furfurol-di-isobutyl-acetal

Downstream raw materials:

furan-2,5-dicarboxylic acid dimethyl ester

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