2-Butyl-1h-indene

Base Information

• Chemical Name: 2-Butyl-1h-indene
• CAS No.: 92013-12-2
• Molecular Formula: C13H16
• Molecular Weight: 172.27
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID40537047
• Nikkaji Number: J1.505.927C
• Wikidata: Q72514333
• Mol file: 92013-12-2.mol

Synonyms:2-Butyl-1h-indene;92013-12-2;2-n-butylindene;DTXSID40537047;AKOS006286740;A844125

Chemical Property of 2-Butyl-1h-indene

Chemical Property:

• Appearance/Colour: transparent to yellow liquid
• Vapor Pressure: 0.018mmHg at 25°C
• Refractive Index: 1.54
• Boiling Point: 262.16 °C at 760 mmHg
• Flash Point: 107.911 °C
• PSA: 0.00000
• Density: 0.955 g/cm³
• LogP: 3.81630
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 172.125200510
• Heavy Atom Count: 13
• Complexity: 190

Purity/Quality:

97% ^*data from raw suppliers

2-Butyl-1H-indene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC2=CC=CC=C2C1

Technology Process of 2-Butyl-1h-indene

There total 5 articles about 2-Butyl-1h-indene 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%

2-bromoindene (10485-09-3) → 2-n-butylindene (92013-12-2)

Guidance literature:

With [nickel(II)dichloride(1,3-bis(diphenylphosphino)propane)]; In diethyl ether; Heating;

DOI:10.1021/jo00196a024

Reference yield: 41.0%

1-bromo-butane (109-65-9) + sulfuric acid (7664-93-9) → 2-n-butylindene (92013-12-2)

Guidance literature:

With hydrogenchloride; magnesium; In water; toluene; 2-indanone;

Reference yield:

hex-1-yne (693-02-7) + 2-bromobenzylzinc(II) bromide (307496-27-1) → 9,10-dihydrophenanthrene (776-35-2) + 2-n-butylindene (92013-12-2)

Guidance literature:

bis(triphenylphosphine)nickel(II) diiodide; In dichloromethane; at 40 ℃; for 2h; Title compound not separated from byproducts.;

DOI:10.1021/ol702167t

upstream raw materials:

2-bromoindene

2-indanone

1-bromo-butane

sulfuric acid

Downstream raw materials:

2-n-butylindan

4,7-dihydro-2-butylindane

bis(2-n-butylindenyl)zirconium dichloride

(CH₃(CH₂)3C₉H₆)2ZrCl₂