1-Benzofuran-2-carbonitrile

Base Information

• Chemical Name: 1-Benzofuran-2-carbonitrile
• CAS No.: 41717-32-2
• Molecular Formula: C9H5NO
• Molecular Weight: 143.145
• Hs Code.: 2932999099
• European Community (EC) Number: 657-189-3
• DSSTox Substance ID: DTXSID20194516
• Nikkaji Number: J76.267I
• Wikidata: Q72445506
• ChEMBL ID: CHEMBL3358217
• Mol file: 41717-32-2.mol

Synonyms:1-benzofuran-2-carbonitrile;41717-32-2;benzofuran-2-carbonitrile;2-Cyanobenzofuran;Coumarilonitrile;2-BENZOFURANCARBONITRILE;C9H5NO;BRN 0116663;CHEMBL3358217;MFCD01659779;cyano-benzofuran;benzofurancarbonitrile;SCHEMBL846924;C9-H5-N-O;DTXSID20194516;BDBM50037879;AKOS002679701;DS-10470;LS-34904;CS-0044013;FT-0649576;EN300-53426;J-519739;Z381355152

Chemical Property of 1-Benzofuran-2-carbonitrile

Chemical Property:

• Vapor Pressure: 0.012mmHg at 25°C
• Refractive Index: 1.628
• Boiling Point: 260.846 °C at 760 mmHg
• Flash Point: 111.556 °C
• PSA: 36.93000
• Density: 1.228 g/cm³
• LogP: 2.30448
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 143.037113783
• Heavy Atom Count: 11
• Complexity: 193

Purity/Quality:

NLT 98% ^*data from raw suppliers

1-Benzofuran-2-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(O2)C#N
• Uses: 1-Benzofuran-2-carbonitrile is used in the synthesis of imidazoline I1 and I2 selective ligands for the imidazoline and α-adrenergic receptors. Also used in the synthesis of antiparasitic and antifungal arylthiazolines.

Technology Process of 1-Benzofuran-2-carbonitrile

There total 2 articles about 1-Benzofuran-2-carbonitrile 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: 85.0%

<2-(hydroxymethyl)phenoxy>acetonitrile (123226-39-1) → benzofuran-2-carbonitrile (41717-32-2) + 2-(2-formylphenoxy)acetonitrile (125418-83-9)

Guidance literature:

With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; potassium tert-butylate; p-benzoquinone; In toluene; at 110 ℃; for 20h; Solvent; Sealed tube;

DOI:10.1021/ol401610e

Reference yield:

→ benzofuran-2-carbonitrile (41717-32-2) + 3-ethoxy-4-methoxybenzenecarbonitrile (60758-86-3)

Guidance literature:

Reference yield: 93.0%

benzofuran-2-carbonitrile (41717-32-2) + aniline (62-53-3) → N2-Phenylbenzo[b]furan-2-carboximidamide (72583-88-1)

Guidance literature:

With aluminium trichloride; In dichloromethane;

DOI:10.1039/b010010m

upstream raw materials:

<2-(hydroxymethyl)phenoxy>acetonitrile

Downstream raw materials:

1-(2-benzofuranyl)-1-propanone

benzofuryl-2 amidoxime

3H-2-(2-benzofuranyl)-2-imidazoline

N²-Phenylbenzo[b]furan-2-carboximidamide

Refernces

• 1、 -. "Anthranilic acid derivatives as inhibitors of the cGMP-phosphodiesterase". . . Retrieved 2008/06/13.