2-Acetylindane

Base Information

• Chemical Name: 2-Acetylindane
• CAS No.: 33982-85-3
• Molecular Formula: C₁₁H₁₂O
• Molecular Weight: 160.216
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID50455708
• Nikkaji Number: J88.901F
• Wikidata: Q82277819
• Mol file: 33982-85-3.mol

Synonyms:2-Acetylindane;33982-85-3;1-Indan-2-yl-ethanone;1-(2,3-dihydro-1H-inden-2-yl)ethanone;1-(2,3-dihydro-1H-inden-2-yl)ethan-1-one;MFCD08543446;2-Acetyl indane;Ethanone, 1-(2,3-dihydro-1H-inden-2-yl)- (9CI);1-Indan-2-ylmethanone;1-(indan-2-yl)ethanone;SCHEMBL434294;DTXSID50455708;TYYCRMLBQARGGU-UHFFFAOYSA-N;AKOS014315700;AS-5589;SY064901;CS-0060857;FT-0682792;EN300-1247645

Chemical Property of 2-Acetylindane

Chemical Property:

• PSA: 17.07000
• LogP: 1.99040
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 160.088815002
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

95% ^*data from raw suppliers

1-Indan-2-yl-ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1CC2=CC=CC=C2C1
• Uses: 1-Indan-2-yl-ethanone is used in the synthetic preparation of benzocycloalkene derivatives as agricultural fungicides as well as chemo- and diastereoselective preparations of cyclic endoperoxides by potassium hydroxide-mediated three-component cyclization reactions.

Technology Process of 2-Acetylindane

There total 11 articles about 2-Acetylindane 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: 90.0%

C17H16O2S → 1-(2,3-dihydro-1H-inden-2-yl)ethanone (33982-85-3)

Guidance literature:

With Tributylphosphine oxide; lithium perchlorate; In toluene; for 2.5h; Heating;

DOI:10.1246/bcsj.60.1839

Reference yield: 79.0%

→ 1-(2,3-dihydro-1H-inden-2-yl)ethanone (33982-85-3)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; Cooling with ice;

Reference yield: 63.0%

α,α'-dibromo-o-xylene (91-13-4) + acetylacetone (123-54-6,81235-32-7) → 1-(2,3-dihydro-1H-inden-2-yl)ethanone (33982-85-3)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In water; toluene; at 80 ℃; for 5h;

DOI:10.1055/s-1995-3884

upstream raw materials:

1-Indan-2-yl-2-(triphenyl-λ⁵-phosphanylidene)-ethanone

(+-)-2-methyl-pent-4-enoic acid

benzene

α,α'-dibromo-o-xylene

Downstream raw materials:

SRC 689

C₂₃H₂₅F₃O₃

1-(1-(4-chlorobenzyl)-1H-indole-2-carbonyl)-N-(1-(2,3-dihydro-1H-inden-2-yl)ethyl)piperidine-4-carboxamide