Methyl 9h-fluorene-1-carboxylate

Base Information

• Chemical Name: Methyl 9h-fluorene-1-carboxylate
• CAS No.: 28314-01-4
• Molecular Formula: C15H12O2
• Molecular Weight: 224.259
• Hs Code.: 2916399090
• NSC Number: 80169
• DSSTox Substance ID: DTXSID70292056
• Nikkaji Number: J862.011C
• Wikidata: Q82030193
• Mol file: 28314-01-4.mol

Synonyms:methyl 9h-fluorene-1-carboxylate;28314-01-4;NSC80169;SCHEMBL9486;NCIOpen2_004366;methyl9h-fluorene-1-carboxylate;DTXSID70292056;NSC-80169;AKOS024330726

Chemical Property of Methyl 9h-fluorene-1-carboxylate

Chemical Property:

• Vapor Pressure: 5.69E-06mmHg at 25°C
• Melting Point: 86.6-87.4 °C
• Boiling Point: 379.8°C at 760 mmHg
• Flash Point: 182.9°C
• PSA: 26.30000
• Density: 1.204g/cm³
• LogP: 3.04440
• Storage Temp.: -20°C Freezer
• Solubility.: Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 224.083729621
• Heavy Atom Count: 17
• Complexity: 299

Purity/Quality:

99% ^*data from raw suppliers

9H-FLUORENE-1-CARBOXYLIC ACID METHYL ESTER ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC2=C1CC3=CC=CC=C32
• Uses: 9H-?Fluorene-?1-?carboxylic Acid Methyl Ester is an intermediate in synthesizing Fluoren-1-ol (F462450), 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.

Technology Process of Methyl 9h-fluorene-1-carboxylate

There total 7 articles about Methyl 9h-fluorene-1-carboxylate 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:

methyl 9-propylfluorene-1-carboxylate (84966-05-2) → methyl 9H-fluorene-1-carboxylate (28314-01-4)

Guidance literature:

With toluene-4-sulfonic acid; In d⁽⁴⁾-methanol; at 60 ℃;

DOI:10.1246/cl.1983.105

Reference yield:

fluoranthene (206-44-0) → methyl 9H-fluorene-1-carboxylate (28314-01-4)

Guidance literature:

Multi-step reaction with 3 steps

1: CrO₃; acetic acid

2: sodium hydroxide; trimethylene glycol; aqueous hydrazine hydrate / 205 °C

3: hydrogen chloride; methanol

With chromium(VI) oxide; hydrogenchloride; methanol; sodium hydroxide; hydrazine hydrate; acetic acid; trimethyleneglycol;

DOI:10.1021/ja01171a502

Reference yield:

9H-fluorene-1-carboxylic acid (6276-03-5) → methyl 9H-fluorene-1-carboxylate (28314-01-4)

Guidance literature:

With hydrogenchloride; methanol;

DOI:10.1021/ja01171a502

upstream raw materials:

9H-fluorene-1-carboxylic acid

methyl 9-propylfluorene-1-carboxylate

methyl 9-(ethylthio)fluorene-1-carboxylate

methyl 9,9-bis(ethylthio)fluorene-1-carboxylate

Downstream raw materials:

1-methylfluorene

fluorene-1-carbonyl azide

fluoren-1-yl-methanol

Refernces

• 1、 Nakanishi, Waro,Kusuyama, Yoshiaki,Ikeda, Yoshitsugu,Oki, Michinori. "Chemical Consequences of the Intramolecular Interaction between a Sulphur Atom and a Methoxycarbonyl Group in Fluorene Systems". . p. 799 - 804. Retrieved 2007/10/02.
• 2、 BERGMANN,ORCHIN. "Synthesis of l-aminofluorene.". . p. 1111 - 1111. Retrieved 2007/10/06.