9H-Fluorene-4-carboxylic acid

Base Information

• Chemical Name: 9H-Fluorene-4-carboxylic acid
• CAS No.: 6954-55-8
• Molecular Formula: C14H10 O2
• Molecular Weight: 210.232
• Hs Code.: 2916399090
• European Community (EC) Number: 230-138-9
• NSC Number: 67686
• UNII: 2CSF7A3A4J
• DSSTox Substance ID: DTXSID50219802
• Nikkaji Number: J236.352F
• Wikidata: Q83096802
• Mol file: 6954-55-8.mol

Synonyms:fluorene-4-carboxylate;fluorene-4-carboxylic acid

Chemical Property of 9H-Fluorene-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 3.87E-08mmHg at 25°C
• Melting Point: 179-182 °C(lit.)
• Refractive Index: 1.5681 (estimate)
• Boiling Point: 429.4°C at 760 mmHg
• PKA: 3.97±0.20(Predicted)
• Flash Point: 191.2°C
• PSA: 37.30000
• Density: 1.1597 (rough estimate)
• LogP: 2.95600
• Water Solubility.: Insoluble in water.
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 210.068079557
• Heavy Atom Count: 16
• Complexity: 287

Purity/Quality:

97% ^*data from raw suppliers

9h-Fluorene-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36/37/39-27

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C2=C(C3=CC=CC=C31)C(=CC=C2)C(=O)O
• Uses: Fluorene-4-carboxylic acid is used in pharmaceutical industry.

Technology Process of 9H-Fluorene-4-carboxylic acid

There total 7 articles about 9H-Fluorene-4-carboxylic acid 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: 95.0%

9-oxo-9H-fluorene-4-carboxylic acid (6223-83-2) → fluorene-4-carboxylic acid (6954-55-8)

Guidance literature:

With hydrogen iodide; In acetic acid; for 20h; Heating;

DOI:10.1246/bcsj.56.2179

Reference yield:

diphenic acid (863305-32-2) → fluorene-4-carboxylic acid (6954-55-8)

Guidance literature:

Multi-step reaction with 2 steps

1: polyphosphoric acid

2: hydrazine

With PPA; hydrazine; 1: Cyclization / 2: Reduction;

DOI:10.1016/S0165-1218(96)90022-1

Reference yield:

9-hydroxy-fluorene-4-carboxylic acid (7071-85-4) → fluorene-4-carboxylic acid (6954-55-8)

Guidance literature:

With phosphorus; iodine; acetic acid;

DOI:10.1021/ja01867a025

upstream raw materials:

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

9-hydroxy-fluorene-4-carboxylic acid

iodine

acetic acid

Downstream raw materials:

5-Hydroxy-2-nitrofluorene

fluorene-4-carboxamide

C₄₀H₃₇N₃O₂

C₃₆H₃₇N₃O₂