9H-fluorene-4-carbonitrile

Base Information

• Chemical Name: 9H-fluorene-4-carbonitrile
• CAS No.: 141606-44-2
• Molecular Formula: C14H9 N
• Molecular Weight: 191.232
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID60369266
• Nikkaji Number: J723.719G
• Wikidata: Q82156316
• Mol file: 141606-44-2.mol

Synonyms:9H-fluorene-4-carbonitrile;141606-44-2;4-cyanofluorene;SCHEMBL1036253;DTXSID60369266;BBMULSUBOPFDIT-UHFFFAOYSA-N;HMS1661L11;SB66660;FT-0710682;W-205559

Chemical Property of 9H-fluorene-4-carbonitrile

Chemical Property:

• Vapor Pressure: 2.02E-05mmHg at 25°C
• Melting Point: 77-79 °C
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 361.8°Cat760mmHg
• Flash Point: 173.5°C
• PSA: 23.79000
• Density: 1.21g/cm³
• LogP: 3.12948
• Storage Temp.: 2-8°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 191.073499291
• Heavy Atom Count: 15
• Complexity: 287

Purity/Quality:

98%Min ^*data from raw suppliers

9H-Fluorene-4-carbonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 36/37/39-26-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C(=CC=C2)C#N)C3=CC=CC=C31

Technology Process of 9H-fluorene-4-carbonitrile

There total 6 articles about 9H-fluorene-4-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: 73.0%

fluorene-4-carboxylic acid (6954-55-8) → fluorene-4-carbonitrile (141606-44-2)

Guidance literature:

fluorene-4-carboxylic acid; With isocyanate de chlorosulfonyle; In dichloromethane; at 0 ℃; for 15h;

With triethylamine; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1021/jo050898g

Reference yield: 64.0%

fluorene-4-carboxamide (28322-01-2) → fluorene-4-carbonitrile (141606-44-2)

Guidance literature:

With phosphorus pentachloride; In toluene; for 4h; Reflux;

DOI:10.1039/d0cc01236j

Reference yield:

5-azidophenanthroline (60883-93-4) → 9H-fluorene-9-carbonitrile (1529-40-4) + 9-Aminophenanthrene (947-73-9) + 9H-fluorene-1-carbonitrile + fluorene-4-carbonitrile (141606-44-2)

Guidance literature:

at 500 ℃; Further byproducts given;

DOI:10.1021/jo050898g

upstream raw materials:

fluorene-4-carboxylic acid

5-azidophenanthroline

9-oxo-9H-fluorene-4-carboxylic acid

fluorene-4-carboxamide

Refernces

• 1、 Kvaskoff, David,Bednarek, Pawel,George, Lisa,Pankajakshan, Sreekumar,Wentrup, Curt. "Different behavior of nitrenes and carbenes on photolysis and thermolysis: Formation of azirine, ylidic cumulene, and cyclic ketenimine and the rearrangement of 6-phenanthridylcarbene to 9-phenanthrylnitrene". . p. 7947 - 7955. Retrieved 2007/10/03.