2-Butyl-2,3-dihydro-1H-inden-1-one

Base Information

• Chemical Name: 2-Butyl-2,3-dihydro-1H-inden-1-one
• CAS No.: 76937-26-3
• Molecular Formula: C13H16O
• Molecular Weight: 188.27
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID40392178
• Nikkaji Number: J1.507.347K
• Mol file: 76937-26-3.mol

Synonyms:2-Butyl-2,3-dihydro-1H-inden-1-one;76937-26-3;2-Butyl-1-indanone;2-butyl-2,3-dihydroinden-1-one;2-Butyl-1-indanone, 95%;SCHEMBL1853465;2-BUTYL-1-INDANONE95;DTXSID40392178;2-BUTYL-1-INDANONE 95;AKOS009157006;FT-0656206;E84203;A838906

Chemical Property of 2-Butyl-2,3-dihydro-1H-inden-1-one

Chemical Property:

• Vapor Pressure: 0.00219mmHg at 25°C
• Refractive Index: n20/D 1.531(lit.)
• Boiling Point: 289.5 °C at 760 mmHg
• Flash Point: 119.9 °C
• PSA: 17.07000
• Density: 1.014 g/cm³
• LogP: 3.23180
• Storage Temp.: 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 188.120115130
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

2-Butyl-1-indanone 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1CC2=CC=CC=C2C1=O

Technology Process of 2-Butyl-2,3-dihydro-1H-inden-1-one

There total 17 articles about 2-Butyl-2,3-dihydro-1H-inden-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: 95.0%

2-butyl-3-methoxy-1H-indene → 2-butyl-2,3-dihydro-1H-inden-1-one (76937-26-3)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; at 75 ℃; for 4h;

DOI:10.1021/jo070952o

Reference yield: 93.0%

tributyl-amine (102-82-9) + inden-1-one (83-33-0) → 2-butyl-2,3-dihydro-1H-inden-1-one (76937-26-3)

Guidance literature:

With 5%-palladium/activated carbon; In toluene; at 120 ℃; for 40h; regioselective reaction; Inert atmosphere;

DOI:10.1021/om500228b

Reference yield: 86.0%

2-butyl-1H-inden-1-yl acetate (1174039-86-1) → 2-butyl-2,3-dihydro-1H-inden-1-one (76937-26-3)

Guidance literature:

With methanol; sodium hydroxide; at 20 ℃; for 24h;

DOI:10.1021/jo900910b

upstream raw materials:

1-phenyl-2-butyl-2-propen-1-one

(hex-1-yn-1-yl)benzene

tributyl-amine

inden-1-one