5-Fluoro-2-methylindan-1-one

Base Information

• Chemical Name: 5-Fluoro-2-methylindan-1-one
• CAS No.: 41201-58-5
• Molecular Formula: C10H9FO
• Molecular Weight: 164.179
• Hs Code.: 2914700090
• European Community (EC) Number: 255-261-5
• DSSTox Substance ID: DTXSID70961497
• Nikkaji Number: J320.022A
• Mol file: 41201-58-5.mol

Synonyms:41201-58-5;5-Fluoro-2-methylindan-1-one;5-Fluoro-2-methyl-2,3-dihydro-1H-inden-1-one;2-methyl-5-fluoroindanone;5-fluoro-2-methyl-2,3-dihydroinden-1-one;5-fluoro-2-methyl-1-indanone;EINECS 255-261-5;5-Fluoro-2-methylindanone;SCHEMBL569403;5-fluoro-2-methyl-indan-1-one;DTXSID70961497;HMJXQEIMQBPTHN-UHFFFAOYSA-N;AMY31514;BCP25895;rac-5-fluoro-2-methyl-indan-1-one;MFCD07787592;AKOS006285945;DS-4851;AC-35629;CS-0138767;FT-0654349;F16222;A825462;W-106314;2-METHYL-5-FLUOROINDANONE 5-Fluoro-2-methylindan-1-one 5-FLUORO-2-METHYLIDANONE 5-fluoro-2-Methyl-2,3-dihydro-1H-inden-1-one

Chemical Property of 5-Fluoro-2-methylindan-1-one

Chemical Property:

• Vapor Pressure: 0.02mmHg at 25°C
• Refractive Index: 1.533-1.5339
• Boiling Point: 251.817 °C at 760 mmHg
• Flash Point: 97.959 °C
• PSA: 17.07000
• Density: 1.179 g/cm³
• LogP: 2.20060
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 164.063743068
• Heavy Atom Count: 12
• Complexity: 202

Purity/Quality:

97% ^*data from raw suppliers

5-Fluoro-2-methyl-2,3-dihydro-1H-inden-1-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2=C(C1=O)C=CC(=C2)F

Technology Process of 5-Fluoro-2-methylindan-1-one

There total 15 articles about 5-Fluoro-2-methylindan-1-one 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: 100.0%

fluorobenzene (462-06-6) + 2-bromoisobutyric acid bromide (20769-85-1) → 5-Fluoro-2-Methyl-Indan-1-One (41201-58-5)

Guidance literature:

With aluminium trichloride; In carbon disulfide;

DOI:10.1016/j.bmcl.2006.07.080

Reference yield: 80.0%

methyl 2-allyl-4-fluorobenzoate → 5-Fluoro-2-Methyl-Indan-1-One (41201-58-5)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; potassium phosphate; 1-Phenylethanol; potassium tert-butylate; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride; In toluene; at 100 ℃; for 16h; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.201911372

Reference yield: 63.0%

→ 5-Fluoro-2-Methyl-Indan-1-One (41201-58-5)

Guidance literature:

With tert.-butylhydroperoxide; copper(II) oxide; In toluene; at 110 ℃; for 5h; Schlenk technique; Inert atmosphere;

upstream raw materials:

fluorobenzene

2-bromoisobutyric acid bromide

phosphorus pentaoxide

3-dimethylamino-4'-fluoro-2-methylpropiophenone

Downstream raw materials:

5-fluoro-2-methyl-1-(p-methylthiobenzyl)-indene

5-fluoro-2-methyl-1H-indene-3-acetic acid