3-(5-Methylfuran-2-yl)propanoic acid

Base Information

• Chemical Name: 3-(5-Methylfuran-2-yl)propanoic acid
• CAS No.: 1456-08-2
• Molecular Formula: C8H10O3
• Molecular Weight: 154.166
• European Community (EC) Number: 830-633-5
• Mol file: 1456-08-2.mol

Synonyms:3-(5-methylfuran-2-yl)propanoic acid;1456-08-2;3-(5-Methyl-furan-2-yl)-propionic acid;BAS 06655798;TimTec1_004059;SCHEMBL8342486;IGKLZYYMKYWZRS-UHFFFAOYSA-N;HMS1545I11;BAA45608;2-methyl-5-(2'-carboxyethyl)furan;STK006011;3-(5-methylfuran-2-yl)propanoicacid;AKOS000177311;beta-(5-methyl-2-furyl) propionic acid;AS-62876;BB 0253375;CS-0218022;EN300-97827;W18846;Z57248456;F3145-2788

Chemical Property of 3-(5-Methylfuran-2-yl)propanoic acid

Chemical Property:

• Melting Point: 61-62 °C
• Boiling Point: 108 °C(Press: 3.5 Torr)
• PKA: 4.51±0.10(Predicted)
• PSA: 50.44000
• Density: 1.163±0.06 g/cm3(Predicted)
• LogP: 1.60520
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 154.062994177
• Heavy Atom Count: 11
• Complexity: 144

Purity/Quality:

98%min ^*data from raw suppliers

3-(5-Methylfuran-2-yl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(O1)CCC(=O)O

Technology Process of 3-(5-Methylfuran-2-yl)propanoic acid

There total 7 articles about 3-(5-Methylfuran-2-yl)propanoic acid 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: 45.0%

3-(5-methylfuran-2-yl) acrylic acid (14779-25-0) → 3-(5'-methyl-2'-furyl)propanoic acid (1456-08-2)

Guidance literature:

With sodium hydroxide; In water;

Reference yield:

(E)-3-(5'-methyl-2'-furyl)prop-2-enoic acid (54160-40-6) → 3-(5'-methyl-2'-furyl)propanoic acid (1456-08-2)

Guidance literature:

With sodium amalgam; water;

Reference yield:

5-Methylfurfural (620-02-0) → 3-(5'-methyl-2'-furyl)propanoic acid (1456-08-2)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 2 h / 100 °C

2: sodium amalgam / H₂O; ethanol / 16 h / 20 °C

With sodium amalgam; In pyridine; ethanol; water;

DOI:10.3891/acta.chem.scand.43-0381

upstream raw materials:

β-(2-furfuril-5-metil)propionato di etile

4,7-dioxooctanoic acid

(E)-3-(5'-methyl-2'-furyl)prop-2-enoic acid

5-Methylfurfural

Downstream raw materials:

4,7-dioxooctanoic acid

2-methyl-6,7-dihydro-5H-benzofuran-4-one

2-methyl-6,7-dihydro-5H-benzofuran-4-one-(2,4-dinitro-phenylhydrazone)

estra-4-ene-3,17-dione