3-Methylbutyl 2-furoate

Base Information

• Chemical Name: 3-Methylbutyl 2-furoate
• CAS No.: 615-12-3
• Molecular Formula: C10H14 O3
• Molecular Weight: 182.219
• European Community (EC) Number: 210-409-8
• DSSTox Substance ID: DTXSID20210467
• Nikkaji Number: J47.708G
• Wikidata: Q63392851
• Mol file: 615-12-3.mol

Synonyms:615-12-3;Isopentyl furan-2-carboxylate;3-Methylbutyl 2-furoate;2-Furancarboxylic Acid Isoamyl Ester;Isoamyl 2-Furoate;3-methylbutyl furan-2-carboxylate;2-Furancarboxylic acid, 3-methylbutyl ester;iso-Amyl 2-furoate;EINECS 210-409-8;furan-2-carboxylic acid isopentyl ester;AI3-14771;Isopentyl 2-furoate #;Isoamyl 2-Furancarboxylate;Isopentylfuran-2-carboxylate;2-Furoic Acid Isoamyl Ester;SCHEMBL529031;2-Furoic acid, isopentyl ester;Isopentyl 2-furoate, AldrichCPR;3-methylbutyl uran-2-carboxylate;DTXSID20210467;CHEBI:179565;MFCD00059015;AKOS025295540;SB60997;CS-0361639;F0156;FT-0743076;D90637;A855850;Q63392851

Chemical Property of 3-Methylbutyl 2-furoate

Chemical Property:

• Vapor Pressure: 0.0315mmHg at 25°C
• Refractive Index: 1.4690-1.4740
• Boiling Point: 232 °C
• Flash Point: 101.2°C
• Density: 1.03
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 182.094294304
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

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

2-FurancarboxylicAcidIsoamylEster ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Methylbutyl 2-furoate

There total 4 articles about 3-Methylbutyl 2-furoate 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: 9.0%

Furfurol-diisopentyl-acetal (18091-14-0) → furfural (98-01-1) + furan-2-carboxylic acid isopentyl ester (615-12-3) + furfuryl-isopentyl ether (121529-97-3)

Guidance literature:

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

Reference yield:

Furfurol-diisopentyl-acetal (18091-14-0) → furfural (98-01-1) + furan-2-carboxylic acid isopentyl ester (615-12-3)

Guidance literature:

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

Reference yield:

2-furanoic acid (88-14-2) + i-Amyl alcohol (123-51-3) → furan-2-carboxylic acid isopentyl ester (615-12-3)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

2-furanoic acid

i-Amyl alcohol

Furfurol-diisopentyl-acetal

Refernces