Methyl 9-oxo-9H-fluorene-1-carboxylate

Base Information

• Chemical Name: Methyl 9-oxo-9H-fluorene-1-carboxylate
• CAS No.: 5406-90-6
• Molecular Formula: C15H10 O3
• Molecular Weight: 238.243
• NSC Number: 5325
• DSSTox Substance ID: DTXSID90277961
• Nikkaji Number: J3.274.690J
• Wikidata: Q82009469
• Mol file: 5406-90-6.mol

Synonyms:Methyl 9-oxo-9H-fluorene-1-carboxylate;5406-90-6;methyl 9-oxofluorene-1-carboxylate;NSC5325;Maybridge3_000388;SCHEMBL21840821;DTXSID90277961;HMS1432B14;NSC 5325;NSC-5325;AKOS001607501;CCG-104843;Methyl9-oxo-9H-fluorene-1-carboxylate;IDI1_011775;METHYL 9-OXO-1-FLUORENECARBOXYLATE;Methyl 9-oxo-9H-fluorene-1-carboxylate #;9-Fluorenone-1-carboxylic acid, methyl ester;9-Oxo-9H-fluorene-1-carboxylic acid methyl ester;SR-01000408610;SR-01000408610-1

Chemical Property of Methyl 9-oxo-9H-fluorene-1-carboxylate

Chemical Property:

• Vapor Pressure: 2.59E-07mmHg at 25°C
• Boiling Point: 421.5°Cat760mmHg
• Flash Point: 190.3°C
• Density: 1.303g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 238.062994177
• Heavy Atom Count: 18
• Complexity: 363

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC2=C1C(=O)C3=CC=CC=C23

Technology Process of Methyl 9-oxo-9H-fluorene-1-carboxylate

There total 6 articles about Methyl 9-oxo-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: 90.0%

methanol (67-56-1) + 9-oxo-9H-fluorene-1-carboxylic acid (1573-92-8) → 9-fluorenone-1-carboxylic acid methyl ester (5406-90-6)

Guidance literature:

With sulfuric acid; at 80 ℃; for 12h; Inert atmosphere;

DOI:10.1021/jacs.9b04080 DOI:10.1021/jacs.9b04080

Reference yield:

d(4)-methanol (811-98-3) + methyl 9,9-bis(ethylthio)fluorene-1-carboxylate (84989-67-3) → 9-fluorenone-1-carboxylic acid methyl ester (5406-90-6) + methyl-d3 4-methylbenzenesulfonate (7575-93-1) + S-ethyl p-toluenethiosulfonate (28519-30-4) + <(2)H3>methyl 9-oxofluorene-1-carboxylate + C19H17(2)H3O2S2 + ethanethiol (75-08-1)

Guidance literature:

With toluene-4-sulfonic acid; at 100 ℃; Rate constant;

Reference yield:

fluoranthene (206-44-0) → 9-fluorenone-1-carboxylic acid methyl ester (5406-90-6)

Guidance literature:

Multi-step reaction with 2 steps

1: CrO₃; acetic acid

2: hydrogen chloride

With chromium(VI) oxide; hydrogenchloride; acetic acid;

DOI:10.1021/ja01171a502

upstream raw materials:

methanol

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

d⁽⁴⁾-methanol

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