2-Furancarboxylic acid, 1-methylethyl ester

Base Information

• Chemical Name: 2-Furancarboxylic acid, 1-methylethyl ester
• CAS No.: 6270-34-4
• Molecular Formula: C8H10 O3
• Molecular Weight: 154.166
• European Community (EC) Number: 228-451-0
• NSC Number: 35576
• UNII: 6ZJ2JI8QNC
• DSSTox Substance ID: DTXSID3064190
• Nikkaji Number: J100.171J
• Wikidata: Q81991324
• Mol file: 6270-34-4.mol

Synonyms:Isopropyl 2-furoate;6270-34-4;2-Furancarboxylic acid, 1-methylethyl ester;Isopropyl furoate;propan-2-yl furan-2-carboxylate;2-Furoic acid, isopropyl ester;6ZJ2JI8QNC;isopropyl furan-2-carboxylate;EINECS 228-451-0;NSC 35576;NSC-35576;furan-2-carboxylic acid isopropyl ester;AI3-23589;Isopentyl 2-furoate;Isopropyl 2-furoate #;UNII-6ZJ2JI8QNC;isopropylfuran-2-carboxylate;SCHEMBL5036990;DTXSID3064190;ISOPROPYL 2-FURYLCARBOXYLATE;NSC35576;MFCD00046107;AKOS006243087;2-Furancarboxylic acid, isopropyl ester;EN300-7246408

Chemical Property of 2-Furancarboxylic acid, 1-methylethyl ester

Chemical Property:

• Vapor Pressure: 0.358mmHg at 25°C
• Refractive Index: 1.4682 (estimate)
• Boiling Point: 198.5°C at 760 mmHg
• Flash Point: 77.9°C
• PSA: 39.44000
• Density: 1.074g/cm³
• LogP: 1.84480
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 154.062994177
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

Isopropyl2-Furoate(~90%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C1=CC=CO1
• Uses: Isopropyl 2-Furoate is used in the preparation of heteroarenecarboxylates.

Technology Process of 2-Furancarboxylic acid, 1-methylethyl ester

There total 7 articles about 2-Furancarboxylic acid, 1-methylethyl 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: 93.0%

2-furancarbonyl chloride (527-69-5) + isopropyl alcohol (67-63-0,8013-70-5) → isopropyl furan-2-carboxylate (6270-34-4)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1002/cjoc.202000303

Reference yield: 60.0%

2-furancarbonyl chloride (527-69-5) + sodium isopropylate (683-60-3) → isopropyl furan-2-carboxylate (6270-34-4)

Guidance literature:

Heating;

DOI:10.1016/S0040-4020(01)88383-6

Reference yield: 43.0%

furfural (98-01-1) + isopropyl alcohol (67-63-0,8013-70-5) → isopropyl furan-2-carboxylate (6270-34-4)

Guidance literature:

With oxygen; at 120 ℃; for 24h; under 4500.45 Torr; Catalytic behavior; Autoclave;

DOI:10.1016/j.mcat.2020.111265

upstream raw materials:

furfural

isopropyl alcohol

2-furancarbonyl chloride

sodium isopropylate

Downstream raw materials:

furan-2,5-dicarboxylic acid dimethyl ester

isopropyl (+/-)-tetrahydrofuran-2-carboxylate

isopropyl 2-[(3-{[(t-butoxycarbonyl)amino]methyl}-phenyl)-methyl]-2,5-dihydrotetrahydro-2-furancarboxylate

2-furanoic acid