Fusaric acid

Base Information

• Chemical Name: Fusaric acid
• CAS No.: 536-69-6
• Molecular Formula: C10H13 N O2
• Molecular Weight: 179.219
• Hs Code.: 2933399090
• European Community (EC) Number: 208-643-0
• NSC Number: 19870
• UNII: JWJ963070N
• DSSTox Substance ID: DTXSID5023085
• Nikkaji Number: J12.987I
• Wikipedia: Fusaric_acid
• Wikidata: Q905703
• Metabolomics Workbench ID: 67452
• ChEMBL ID: CHEMBL24510
• Mol file: 536-69-6.mol

Synonyms:5 Butyl 2 pyridinedicarboxylic Acid;5-Butyl-2-pyridinedicarboxylic Acid;Acid, 5-Butyl-2-pyridinedicarboxylic;Acid, Fusaric;Calcium Fusarate;Fusarate, Calcium;Fusaric Acid

Chemical Property of Fusaric acid

Chemical Property:

• Appearance/Colour: off-white to faint yellowish crystalline powder
• Vapor Pressure: 7.27E-05mmHg at 25°C
• Melting Point: 96-100 °C
• Refractive Index: 1.5710 (estimate)
• Boiling Point: 329.2°Cat760mmHg
• PKA: 1.11±0.50(Predicted)
• Flash Point: 152.9°C
• PSA: 50.19000
• Density: 1.113g/cm³
• LogP: 2.12240
• Storage Temp.: −20°C
• Solubility.: ethanol: 50 mg/mL, clear, faintly yellow
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

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

Fusaric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CN=C(C=C1)C(=O)O
• Uses: A medical research tool. Fusaric acid may be used as a derivatizing reagent for the quantification of hydroxysteroids and dehydroepiandrosterone (DHEA)?and sulfated DHEA in biological samples using liquid chromatography electrospray-ionization-tandem mass spectrometry (LC/ESI-MS/MS) technique.

Technology Process of Fusaric acid

There total 37 articles about Fusaric 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: 93.0%

tert-butyl 5-butyrylpyridine-2-carboxylate (165275-94-5) → Fusaric acid (536-69-6)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; for 3h; Ambient temperature;

DOI:10.3987/COM-94-7012

Reference yield: 89.0%

fusaric acid methyl ester (17072-92-3) → Fusaric acid (536-69-6)

Guidance literature:

With lithium hydroxide; In methanol; water; at 20 ℃; for 1h;

DOI:10.3390/molecules25173859

Reference yield: 76.0%

5-n-butyl-2-cyanopyridine (39256-40-1) → Fusaric acid (536-69-6)

Guidance literature:

With potassium hydroxide; In ethanol; for 6h; Heating;

upstream raw materials:

1-(5-butyl-[2]pyridyl)-propan-1-one

1-(5-butyl-[2]pyridyl)-butan-1-one

5-butyl-2-trans-propenyl-pyridine

5-butyl-2-methylpyridine

Downstream raw materials:

3-butylpyridine

ethene

fusaric acid methyl ester

5-butyl-pyridine-2-carboxylic acid amide

Refernces

• 1、 Thanh, Tung Truong,Quoc, Thang Nguyen,Xuan, Huy Luong. "Fusaric acid and derivatives as novel antimicrobial agents". . p. 1689 - 1696. Retrieved 2020/07/09.
• 2、 Song,Yee. "A concise synthesis of fusaric acid and (S)-(+)-fusarinolic acid". . p. 605 - 608. Retrieved 2007/10/03.