2-Furancarboxylic acid, 5-(1-methylethyl)-

Base Information

• Chemical Name: 2-Furancarboxylic acid, 5-(1-methylethyl)-
• CAS No.: 56311-38-7
• Molecular Formula: C8H10O3
• Molecular Weight: 154.16300
• European Community (EC) Number: 866-437-1
• DSSTox Substance ID: DTXSID601275212
• Mol file: 56311-38-7.mol

Synonyms:56311-38-7;2-Furancarboxylic acid, 5-(1-methylethyl)-;5-Isopropylfuran-2-carboxylic acid;5-isopropyl-furan-2-carboxylic acid;5-propan-2-ylfuran-2-carboxylic acid;SCHEMBL5520513;5-Isopropylfuran-2-carboxylicacid;DTXSID601275212;AKOS013201798;5-(propan-2-yl)furan-2-carboxylic acid;5-(1-Methylethyl)-2-furancarboxylic acid;EN300-1131858

Chemical Property of 2-Furancarboxylic acid, 5-(1-methylethyl)-

Chemical Property:

• Melting Point: 65 - 66 °C
• PSA: 50.44000
• LogP: 2.10120
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.062994177
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

5-Isopropylfuran-2-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1=CC=C(O1)C(=O)O

Technology Process of 2-Furancarboxylic acid, 5-(1-methylethyl)-

There total 10 articles about 2-Furancarboxylic acid, 5-(1-methylethyl)- 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:

2-furoic acid methyl ester (611-13-2) → 5-isopropyl-furan-2-carboxylic acid (56311-38-7)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminium chloride

2: ethanolic KOH-solution

With potassium hydroxide; aluminium trichloride;

DOI:10.1021/ja01337a053

Reference yield:

methyl 5-isopropylfuran-2-carboxylate (38071-66-8) → 5-isopropyl-furan-2-carboxylic acid (56311-38-7)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01337a053

Reference yield:

5-(isopropyl)furan-2-carbaldehyde (33554-11-9) → 5-isopropyl-furan-2-carboxylic acid (56311-38-7)

Guidance literature:

With sodium hydroxide; silver(l) oxide;

DOI:10.1002/hlca.193201501125

upstream raw materials:

5-(isopropyl)furan-2-carbaldehyde

methyl 5-isopropylfuran-2-carboxylate

2-isopropylfuran

2-(prop-1-en-2-yl)furan

Downstream raw materials:

2-isopropylfuran