1-Methylfluorene

Base Information

• Chemical Name: 1-Methylfluorene
• CAS No.: 1730-37-6
• Molecular Formula: C14H12
• Molecular Weight: 180.249
• Hs Code.: 2902909090
• European Community (EC) Number: 217-048-5
• NSC Number: 80183
• UNII: 5DR03K3111
• DSSTox Substance ID: DTXSID4061919
• Nikkaji Number: J102.693C
• Wikidata: Q27261886
• ChEMBL ID: CHEMBL1797283
• Mol file: 1730-37-6.mol

Synonyms:1-methylfluorene

Chemical Property of 1-Methylfluorene

Chemical Property:

• Vapor Pressure: 0.00091mmHg at 25°C
• Melting Point: 84-86 °C(lit.)
• Refractive Index: 1.6470 (estimate)
• Boiling Point: 313.5°Cat760mmHg
• Flash Point: 148.5°C
• PSA: 0.00000
• Density: 1.095g/cm³
• LogP: 3.56620
• Water Solubility.: 1.09mg/L(25 oC)
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 180.093900383
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

97% ^*data from raw suppliers

1-Methylfluorene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: CC1=C2CC3=CC=CC=C3C2=CC=C1
• Uses: 1-Methylfluorene is a volatile constituent in Greek tobacco and has been found to not have mutagenic activity.

Technology Process of 1-Methylfluorene

There total 77 articles about 1-Methylfluorene 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: 97.0%

1-methylfluoren-9-one (5501-37-1) → 1-methylfluorene (1730-37-6)

Guidance literature:

With phosphorus; hydrogen iodide; In propionic acid; for 24h; Heating;

DOI:10.1002/chem.200601142

Reference yield: 92.0%

1-bromo-2-(2-methylbenzyl)benzene (884-27-5) → 1-methylfluorene (1730-37-6)

Guidance literature:

With N,N′-bis(2,6-diisopropylphenyl)imidazol-2-ylidene hydrochloride; palladium diacetate; potassium carbonate; In 1-methyl-pyrrolidin-2-one; at 130 ℃; for 12h; Inert atmosphere; Sealed tube;

DOI:10.1002/adsc.201000651

Reference yield: 91.0%

9H-fluorene-1-carboxylic acid (6276-03-5) → 1-methylfluorene (1730-37-6)

Guidance literature:

With diborane; In tetrahydrofuran; for 29h; Heating;

DOI:10.1021/jm00396a010

upstream raw materials:

1-methylfluoren-9-one

fluoren-1-yl-methanol

1-bromomethyl-fluorene

2',3-dimethyl-[1,1'-biphenyl]-2-amine

Downstream raw materials:

1-((R)-1-Methyl-9H-fluoren-9-yl)-naphthalene-2-carboxylic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester

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