methyl 9H-fluorene-9-carboxylate

Base Information

• Chemical Name: methyl 9H-fluorene-9-carboxylate
• CAS No.: 3002-30-0
• Molecular Formula: C15H12 O2
• Molecular Weight: 224.259
• Hs Code.: 2916399090
• NSC Number: 29738
• DSSTox Substance ID: DTXSID20283111
• Nikkaji Number: J47.515G
• Wikidata: Q63409504
• ChEMBL ID: CHEMBL1715704
• Mol file: 3002-30-0.mol

Synonyms:methyl 9H-fluorene-9-carboxylate;3002-30-0;NSC 29738;NSC29738;9-carbomethoxyfluorene;ChemDiv2_000552;CBDivE_002384;MLS000723863;SCHEMBL106257;CHEMBL1715704;DTXSID20283111;HMS1370J02;HMS2645P09;NSC-29738;9H-Fluorene-9-carboxylic acid methyl;AKOS001632081;CCG-108290;SMR000305458;9H-fluoren-9-carboxylic acid methyl ester;EU-0007331;9-FLUORENECARBOXYLIC ACID METHYL ESTER;SR-01000454973;SR-01000454973-1;Q63409504

Chemical Property of methyl 9H-fluorene-9-carboxylate

Chemical Property:

• Vapor Pressure: 3.68E-05mmHg at 25°C
• Boiling Point: 353.1°Cat760mmHg
• Flash Point: 161°C
• PSA: 26.30000
• Density: 1.206g/cm³
• LogP: 2.97190
• Storage Temp.: -20°C Freezer
• Solubility.: Benzene; Toluene; DMSO; Dichloroform; Chloroform; Ethyl Acetate
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 224.083729621
• Heavy Atom Count: 17
• Complexity: 277

Purity/Quality:

98%min ^*data from raw suppliers

MethylFluorene-9-carboxylicAcidEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1C2=CC=CC=C2C3=CC=CC=C13
• Uses: Methyl Fluorene-9-carboxylic Acid Ester is an intermediate used in the synthesis of 2-Methylfluoranthene (M305305), which is an environmental pollutant that causes oxidative DNA damage in humans.

Technology Process of methyl 9H-fluorene-9-carboxylate

There total 10 articles about methyl 9H-fluorene-9-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: 52.0%

methyl benzilate (76-89-1) → methyl 9H-fluorene-9-carboxylate (3002-30-0) + 2-<2-oxo-2-methoxy-1,1-diphenylethyl>-9H-fluorene-9-carboxylic acid methyl ester (103192-04-7)

Guidance literature:

With sulfuric acid; In chloroform; for 24h; Ambient temperature;

DOI:10.1021/ja00277a030

Reference yield: 31.0%

α-methoxycarbonyldiphenylmethyl cation (38252-93-6) → methyl 9H-fluorene-9-carboxylate (3002-30-0) + 2-<2-oxo-2-methoxy-1,1-diphenylethyl>-9H-fluorene-9-carboxylic acid methyl ester (103192-04-7)

Guidance literature:

In dichloromethane; at 0 ℃; Kinetics; Product distribution; further α-substituted diphenylmethyl cations;

DOI:10.1021/ja00277a030

Reference yield:

methanol (67-56-1) + Fluoren-9-ylidene-methoxy-methanolatetetramethyl-ammonium; → methyl 9H-fluorene-9-carboxylate (3002-30-0) + tetramethylammonium methoxide (5568-08-1)

Guidance literature:

In methanol; at 25 ℃; Equilibrium constant;

DOI:10.1021/ja00513a050

upstream raw materials:

methanol

methyl benzilate

4-Trifluormethyl-nonafluordiphenylamin

2,2',3,3',4,5,5',6,6'-nonafluoro-4'-bromodiphenylamine

Downstream raw materials:

9-(3-oxo-3-phenyl-propyl)-fluorene-9-carboxylic acid methyl ester

9-butyl-9-methoxycarbonylfluorene

9-Methylfluoren-9-carbonsaeureethylester

9-Brom-9-fluorencarbonsaeure-methylester

Refernces