3-Furonitrile

Base Information

• Chemical Name: 3-Furonitrile
• CAS No.: 30078-65-0
• Molecular Formula: C5H3 N O
• Molecular Weight: 93.0849
• Hs Code.: 2932190090
• European Community (EC) Number: 677-754-8
• NSC Number: 349940
• UNII: Z98V8YM7CM
• DSSTox Substance ID: DTXSID20184159
• Nikkaji Number: J150.439H
• Wikidata: Q83055037
• Mol file: 30078-65-0.mol

Synonyms:3-Furonitrile;furan-3-carbonitrile;30078-65-0;3-Furancarbonitrile;3-Cyanofuran;Z98V8YM7CM;MFCD00067042;NSC-349940;3-Furancarbonitrile (9CI);NSC 349940;3-Furonitrile, 97%;UNII-Z98V8YM7CM;DTXSID20184159;ZQFYJHMUAWCEBH-UHFFFAOYSA-N;NSC349940;STL451624;AKOS009156606;AM20090407;CS-0258295;FT-0615765;EN300-69693;J-640058;J-800060;Z1079178908

Chemical Property of 3-Furonitrile

Chemical Property:

• Vapor Pressure: 3.98mmHg at 25°C
• Melting Point: 29-31 °C
• Refractive Index: 1.4790
• Boiling Point: 151 °C
• Flash Point: 44.3°C
• PSA: 36.93000
• Density: 1.13g/cm³
• LogP: 1.15128
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 93.021463719
• Heavy Atom Count: 7
• Complexity: 102

Purity/Quality:

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

Furan-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,F
• Statements: 20/21/22-41-37/38-11
• Safety Statements: 36/37-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC=C1C#N

Technology Process of 3-Furonitrile

There total 14 articles about 3-Furonitrile 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: 98.0%

→ 3-furylnitrile (30078-65-0)

Guidance literature:

With perchloric acid; O-benzenesulfonyl-acetohydroxamic acid ethyl ester; In dichloromethane; at 20 ℃; for 24h; Inert atmosphere;

Reference yield: 91.0%

3-Furoic acid (488-93-7) → 3-furylnitrile (30078-65-0)

Guidance literature:

With hydroxyammonium sulfate; zinc; for 0.266667h; Microwave irradiation;

DOI:10.3184/030823410X12795488698174

Reference yield: 89.0%

3-furancarboxaldehyde oxime → 3-furylnitrile (30078-65-0)

Guidance literature:

With C₂₄H₃₃ClF₃N₃Os; In acetonitrile; at 80 ℃; for 1h; Sealed tube;

DOI:10.1002/ejic.201501221

upstream raw materials:

3-bromofurane

potassium cyanide

benzene-1,3-dicarbonitrile

3-Furoic acid

Downstream raw materials:

4-(3-Bromophenyl)-4-(3-furyl)-1,3-thiazolidine-2,5-dithione

3-[(3-Bromophenyl)(isothiocyanato)methyl]furan

1-(3-bromophenyl)-1-(3-furyl)methanamine

C₆H₅N₃O

Refernces

• 1、 Nagasaki, Yo-hei,Nakagawa, Yoshinao,Tamura, Masazumi,Tomishige, Keiichi,Yabushita, Mizuho. "Dehydration of Amides to Nitriles over Heterogeneous Silica-Supported Molybdenum Oxide Catalyst". . . Retrieved 2022/03/15.
• 2、 Vanoye, Laurent,Hammoud, Ahmad,Gérard, Hélène,Barnes, Alexandra,Philippe, Régis,Fongarland, Pascal,De Bellefon, Claude,Favre-Réguillon, Alain. "Direct Synthesis of Nitriles from Carboxylic Acids Using Indium-Catalyzed Transnitrilation: Mechanistic and Kinetic Study". . p. 9705 - 9714. Retrieved 2019/10/14.