Furan-2-carbaldehyde oxime

Base Information

• Chemical Name: Furan-2-carbaldehyde oxime
• CAS No.: 1121-47-7
• Molecular Formula: C5H5 N O2
• Molecular Weight: 111.1
• Hs Code.: 2932190090
• Nikkaji Number: J49.581F,J95.513B
• Wikidata: Q76392532
• Mol file: 1121-47-7.mol

Synonyms:1450-58-4;(Z)-furan-2-carbaldehyde oxime;furan-2-carbaldehyde oxime;1121-47-7;2-Furancarboxaldehyde, oxime, [C(Z)]-;Furfuraloxime;2-FURALDEHYDEOXIME;2-Furancarboxaldehyde oxime;2-Furaldehyde, oxime, (E)-;Furfuraldoxime;2-Furancarboxaldehyde, oxime, (E)-;1,4-Phenylenbis(methylenoxy-2-benzaldehyde);(E)-furfuraldoxime;(E)-N-[(furan-2-yl)methylidene]hydroxylamine;starbld0047492;SCHEMBL3079633;UYTMLDBQFLIQJA-GQCTYLIASA-N;(Z)-N-(furan-2-yl-methylene)-hydroxylamine

Chemical Property of Furan-2-carbaldehyde oxime

Chemical Property:

• Vapor Pressure: 1.02mmHg at 25°C
• Melting Point: 78oC
• Refractive Index: 1.4260 (estimate)
• Boiling Point: 169.9°C at 760 mmHg
• PKA: 11.36±0.10(Predicted)
• Flash Point: 56.5°C
• PSA: 45.73000
• Density: 1.19g/cm³
• LogP: 1.08770
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 111.032028402
• Heavy Atom Count: 8
• Complexity: 92.4

Purity/Quality:

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

Furan-2-aldoxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Safety Statements: S36/37:Wear suitable protective clothing and gloves.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)C=NO
• Isomeric SMILES: C1=COC(=C1)/C=N\O

Technology Process of Furan-2-carbaldehyde oxime

There total 13 articles about Furan-2-carbaldehyde oxime 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: 100.0%

furfural (98-01-1) → 2-furaldehyde oxime (1121-47-7)

Guidance literature:

With hydroxylamine hydrochloride;

DOI:10.1039/b305268k

Reference yield: 93.0%

(2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) + hydroxylamine hydrochloride (5470-11-1) → 2-furaldehyde oxime (1121-47-7)

Guidance literature:

With Au/HAP; oxygen; In toluene; at 90 ℃; for 5h;

DOI:10.1002/anie.200900802

Reference yield: 79.0%

furan-2-ylmethanamine (617-89-0) → 2-furaldehyde oxime (1121-47-7)

Guidance literature:

With Acetaldehyde oxime; oxygen; 1N,3N,5N-trihydroxy-1,3,5-triazin-2,4,6[1H,3H,5H]-trione; In water; at 100 ℃; for 40h; Green chemistry;

DOI:10.1055/s-0033-1338646

upstream raw materials:

furfural

furan-2-yl-hydroxyamino-methanol

{Cu(C₄H₃OCH(NOH))2Cl₂}

(2-furyl)methyl alcohol

Downstream raw materials:

2-furancarbonitrile

furan-2-ylmethanamine

bis((furan-2-yl)methyl)amine

2-furan-2-yl-1-hydroxy-5-methyl-3-oxy-1H-imidazole-4-carboxylic acid anilide

Refernces

• 1、 Janczewski, ?ukasz,Zieliński, Dariusz,Kolesińska, Beata. "Synthesis of amides and esters containing furan rings under microwave-assisted conditions". . p. 265 - 280. Retrieved 2021.
• 2、 Gao, Yanqing,Li, Jingjing,Li, Jian,Song, Zhanqian,Shang, Shibin,Rao, Xiaoping. "High add valued application of turpentine in crop production through structural modification and qsar analysis". . . Retrieved 2018.
• 3、 Cingolani, Gino,Panella, Andrea,Perrone, Maria Grazia,Vitale, Paola,Di Mauro, Giuseppe,Fortuna, Cosimo G.,Armen, Roger S.,Ferorelli, Savina,Smith, William L.,Scilimati, Antonio. "Structural basis for selective inhibition of Cyclooxygenase-1 (COX-1) by diarylisoxazoles mofezolac and 3-(5-chlorofuran-2-yl)-5-methyl-4-phenylisoxazole (P6)". . p. 661 - 668. Retrieved 2017.
• 4、 Yu, Jiatao,Lu, Ming. "Metal-Free: A novel and efficient aerobic oxidation of primary amines to oximes using N, N', N''-trihydroxyisocyanuric acid and acetaldoxime as catalysts in water". . p. 1873 - 1878. Retrieved 2014.
• 5、 Lu, Xinqing,Guan, Yejun,Xu, Hao,Wu, Haihong,Wu, Peng. "Clean synthesis of furfural oxime through liquid-phase ammoximation of furfural over titanosilicate catalysts". . p. 4871 - 4878. Retrieved 2017.
• 6、 Urquilla, Andromeda,Merrer, Dina C.,Sumner, Ryan,Denton, Richard W.. "Synthesis and Biological Activity of 2-(2-Amino-2-phenylethyl)-5-oxotetrahydrofuran-2-carboxylic Acid: A Microwave-Assisted 1,3-Dipolar Cycloaddition Approach". supporting information. p. 1735 - 1740. Retrieved 2021/08/27.