Fluorene-1-carboxylic acid

Base Information

• Chemical Name: Fluorene-1-carboxylic acid
• CAS No.: 6276-03-5
• Molecular Formula: C14H10O2
• Molecular Weight: 210.232
• Hs Code.: 29163900
• European Community (EC) Number: 228-472-5
• NSC Number: 36445
• UNII: AO792VD660
• DSSTox Substance ID: DTXSID40211830
• Nikkaji Number: J211.513A
• Wikidata: Q27274029
• Mol file: 6276-03-5.mol

Synonyms:fluorene-1-carboxylic acid

Chemical Property of Fluorene-1-carboxylic acid

Chemical Property:

• Appearance/Colour: Light brown powder
• Vapor Pressure: 1.43E-07mmHg at 25°C
• Melting Point: 246-248 °C
• Boiling Point: 413.3 °C at 760 mmHg
• PKA: 4.11±0.20(Predicted)
• Flash Point: 185.4 °C
• PSA: 37.30000
• Density: 1.306 g/cm³
• LogP: 2.95600
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Tetrahydrofuran
• XLogP3: 3.4
• 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:

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

1-Fluorenecarboxylic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-36/37/39-27-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1C2=CC=CC=C2C3=C1C(=CC=C3)C(=O)O
• Uses: 1-Fluorenecarboxylic Acid is an intermediate used in the synthesis of Fluoren-1-ol (F462450), which is a metabolite of the PAH micropollutant Fluorene (F462002) with potential mutagenic effects. It is used as biomarkers to evaluate exposure to PAHs and environmental tobacco smoke in general population. Also, it possesses interface electronic properties. Achiral fluorescent agent.

Technology Process of Fluorene-1-carboxylic acid

There total 10 articles about Fluorene-1-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: 99.0%

9H-fluorene (86-73-7) + carbon dioxide (124-38-9,18923-20-1) → 9H-fluorene-1-carboxylic acid (6276-03-5)

Guidance literature:

With Et₃SiB(C₆F₅)4; In chlorobenzene; at 20 ℃; for 18h;

DOI:10.1246/cl.2012.913

Reference yield:

aluminium trichloride (7446-70-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) + trichloroacetic acid (76-03-9) → triphenylacetic acid (595-91-5) + 9H-fluorene-1-carboxylic acid (6276-03-5)

Guidance literature:

Reference yield:

9-oxo-9H-fluorene-1-carboxylic acid (1573-92-8) → 9H-fluorene-1-carboxylic acid (6276-03-5)

Guidance literature:

With hydrogenchloride; amalgamated zinc; acetic acid;

DOI:10.1039/jr9480001137

upstream raw materials:

9H-fluorene

9-oxo-9H-fluorene-1-carboxylic acid

aluminium trichloride

benzene

Downstream raw materials:

9H-fluorene

carbon dioxide

fluorene-1-carboxylic acid ethyl ester

methyl 9H-fluorene-1-carboxylate

Refernces

• 1、 Konno, Megumi,Chiba, Masafumi,Nemoto, Koji,Hattori, Tetsutaro. "Electrophilic aromatic substitution of arenes with CO2 mediated by R3SiB(C6F5)4". . p. 913 - 914,2. Retrieved 2020/08/31.
• 2、 -. "Pigment composition". . . Retrieved 2008/06/13.