Furan-2-carbonyl cyanide

Base Information

• Chemical Name: Furan-2-carbonyl cyanide
• CAS No.: 6047-91-2
• Molecular Formula: C6H3NO2
• Molecular Weight: 121.095
• Hs Code.: 2932190090
• European Community (EC) Number: 227-944-8
• NSC Number: 59068
• UNII: PK9BKF3ANS
• DSSTox Substance ID: DTXSID80209216
• Nikkaji Number: J227.257A
• Wikidata: Q72479663
• Mol file: 6047-91-2.mol

Synonyms:furan-2-carbonyl cyanide;6047-91-2;2-Furoyl cyanide;2-Furanglyoxylonitrile;2-Furanacetonitrile, alpha-oxo-;2-Furylglyoxylonitrile;PK9BKF3ANS;.alpha.-Oxo-furan-2-acetonitrile;2-Furanacetonitrile, .alpha.-oxo-;EINECS 227-944-8;ALPHA-OXO-2-FURANACETONITRILE;NSC-59068;AI3-33428;Furfuroylcyanid;C6H3NO2;2-furoylcyanide;NSC59068;2-(Cyanocarbonyl)furan;2-Acetylfuran, 99%;UNII-PK9BKF3ANS;2-Furyl(oxo)acetonitrile #;2-Furanacetonitrile, a-oxo-;2-FURANCARBONYL CYANIDE;SCHEMBL3504616;DTXSID80209216;MFCD00042670;NSC 59068;AKOS006228484;.ALPHA.-OXO-2-FURANACETONITRILE;FT-0622190

Chemical Property of Furan-2-carbonyl cyanide

Chemical Property:

• Vapor Pressure: 1.13mmHg at 25°C
• Melting Point: 19-87℃
• Refractive Index: 1.498
• Boiling Point: 175.8 °C at 760 mmHg
• Flash Point: 60.1 °C
• PSA: 54.00000
• Density: 1.246 g/cm³
• LogP: 0.98588
• Sensitive.: Moisture Sensitive
• Solubility.: DMSO (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 121.016378338
• Heavy Atom Count: 9
• Complexity: 167

Purity/Quality:

99.90% ^*data from raw suppliers

FuroylCyanide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Hazard Codes: Xn:Harmful
• 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(=O)C#N
• Uses: Furoyl Cyanide is an reagent in the synthesis of O-acyl cyanohydrins.

Technology Process of Furan-2-carbonyl cyanide

There total 10 articles about Furan-2-carbonyl cyanide 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: 86.0%

2-furancarbonyl chloride (527-69-5) + potassium cyanide (151-50-8) → 2-furoyl cyanide (6047-91-2)

Guidance literature:

With zinc(II) iodide; PEG₄₀₀; In dichloromethane; at 20 ℃; for 5h;

DOI:10.1081/SCC-200026646

Reference yield: 86.0%

2-furancarbonyl chloride (527-69-5) → 2-furoyl cyanide (6047-91-2)

Guidance literature:

With PEG-400; potassium iodide; silver(I) iodide; In N,N-dimethyl-formamide; at 20 ℃; for 9h;

DOI:10.1055/s-2006-950407

Reference yield: 85.0%

→ 2-furoyl cyanide (6047-91-2)

Guidance literature:

upstream raw materials:

2-furancarbonyl chloride

hydrogen cyanide

potassium cyanide

tri-n-butyltin cyanide

Downstream raw materials:

2-furancarbonitrile

2-furanoic acid

furil

2-furoylacetonitrile

Refernces

• 1、 Bazhin, Denis N.,Kudyakova, Yulia S.,Nemytova, Natalia A.,Burgart, Yanina V.,Saloutin, Victor I.. "Detrifluoroacetylation of 4,4,4-trifluoro-3,3-dihydroxy-2-(hydroxyimino)butan-1-ones as a convenient synthetic strategy for acyl cyanides Dedicated to Academician Valery N. Charushin on his 65th birthday.". . p. 28 - 32. Retrieved 2016/05/02.
• 2、 Li, Zheng,Liu, Chenhui,Zhang, Yupeng,Li, Rongzhi,Ma, Ben,Yang, Jingya. "Conjugate hydrocyanation of aromatic enones using potassium hexacyanoferrate(II) as an eco-friendly cyanide source". supporting information. p. 2567 - 2571. Retrieved 2012/11/13.