2-Indanone

Base Information

• Chemical Name: 2-Indanone
• CAS No.: 615-13-4
• Molecular Formula: C9H8O
• Molecular Weight: 132.162
• Hs Code.: 29145090
• European Community (EC) Number: 210-410-3
• UNII: 0I79N673DE
• DSSTox Substance ID: DTXSID7052288
• Nikkaji Number: J7.027K
• Wikidata: Q15906443
• Metabolomics Workbench ID: 51516
• ChEMBL ID: CHEMBL195557
• Mol file: 615-13-4.mol

Synonyms:2-INDANONE;615-13-4;Indan-2-one;1h-inden-2(3h)-one;1,3-Dihydro-2H-inden-2-one;beta-Hydrindone;2H-Inden-2-one, 1,3-dihydro-;1,3-dihydroinden-2-one;2,3-dihydro-1H-inden-2-one;EINECS 210-410-3;MFCD00003792;BRN 0636550;UNII-0I79N673DE;AI3-39163;CHEMBL195557;DTXSID7052288;CHEBI:27930;0I79N673DE;4-07-00-01002 (Beilstein Handbook Reference);2-Oxoindane;.beta.-Hydrindone;indan-2-on;2-Indanone;2-Indanone, 98%;bmse000514;1,3-dihydro-inden-2-one;SCHEMBL77106;DTXCID1030860;AMY5313;Tox21_304008;AC-530;BDBM50168003;AKOS000120641;CS-W020518;NCGC00357223-01;AS-11788;CAS-615-13-4;LS-81313;SY001481;2-Indanone, Vetec(TM) reagent grade, 98%;FT-0612646;I0649;EN300-21015;C07727;F10966;A833275;W-105145;Q15906443;F0001-1623;Z104486120

Chemical Property of 2-Indanone

Chemical Property:

• Appearance/Colour: Wet crystalline aggregates
• Vapor Pressure: 0.0236mmHg at 25°C
• Melting Point: 51-54 °C(lit.)
• Refractive Index: 1.585
• Boiling Point: 248.9 °C at 760 mmHg
• Flash Point: 100 °C
• PSA: 17.07000
• Density: 1.148 g/cm³
• LogP: 1.35430
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• Water Solubility.: insoluble
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 132.057514874
• Heavy Atom Count: 10
• Complexity: 135

Purity/Quality:

99% ^*data from raw suppliers

2-Indanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)CC2=CC=CC=C21
• Uses: 2-Indanone is an indanone with an oxo substituent at position 2. It is a metabolite of indane. It has a role as a xenobiotic metabolite. 2-Indanone is an intermediate for the preparation of aprindine hydrochloride and ceforanide. It is an important intermediate in organic synthesis. 2-Indanone undergoes TiCl4-Mg mediated coupling with CHBr3 to yield dibromomethyl carbinol. It reacts with 5,5-dimethyl-3-pyrazolidinone to yield 5,5-dimethyl-2-(1H-indenyl-2)-3-pyrazolidinone. On photolysis by 266-nm one-photon excitation yields o-xylylene. It was used as starting reagent in the synthesis of indene-fused porphyrins.

Technology Process of 2-Indanone

There total 138 articles about 2-Indanone 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: 97.1%

1-indene (95-13-6) → 2-indanone (615-13-4)

Guidance literature:

With oxygen; cobalt(II) acetate; isobutyraldehyde; In acetonitrile; at 60 ℃; for 1h;

DOI:10.1080/15421400801904740

Reference yield: 95.0%

2,3-epoxyindene (768-22-9) → 2-indanone (615-13-4)

Guidance literature:

With Dowex-50W; In water; for 0.5h; Heating;

Reference yield: 95.0%

cis-indane-1,2-diol (4370-02-9,4647-42-1,4647-43-2,67528-22-7,67528-23-8,71214-80-7,71214-82-9,78737-68-5) → 2-indanone (615-13-4)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 0.25h; Heating;

DOI:10.1055/s-1980-29141

upstream raw materials:

trans-2-chloro-indan-1-ol

sodium methylate

2,3-epoxyindene

diethyl ether

Downstream raw materials:

1,2:5,6-Dibenzoxalen

2-ethylindene

2-(4-methylbenzyl)-indene

2-<4-Fluor-benzyl>-indan-2-ol

Refernces

• 1、 Kristinsson et al.. "-". . p. 415. Retrieved 1966.
• 2、 Brus, Boris,Ko?ak, Urban,Turk, Samo,Pi?lar, Anja,Coquelle, Nicolas,Kos, Janko,Stojan, Jure,Colletier, Jacques-Philippe,Gobec, Stanislav. "Discovery, biological evaluation, and crystal structure of a novel nanomolar selective butyrylcholinesterase inhibitor". . p. 8167 - 8179. Retrieved 2014.
• 3、 Bonfantini, Edia,Metral, Jean-Luc,Vogel, Pierre. "Ironcarbonyl Complexes of 5,6-Dimethylidene-7-oxabicyclohept-2-ene Derivatives. Synthesis of Substituted Tricarbonyl(ortho-quinodimethane)iron Complexes and 2-Indanones". . p. 1791 - 1797. Retrieved 1987.
• 4、 Ardiansah, Bayu,Kakiuchi, Kiyomi,Morimoto, Tsumoru,Tanimoto, Hiroki,Tomohiro, Takenori. "Sulfonium ion-promoted traceless Schmidt reaction of alkyl azides". . p. 8738 - 8741. Retrieved 2021/09/08.
• 5、 Corti, Marco,Chiara, Rossella,Romani, Lidia,Mannucci, Barbara,Malavasi, Lorenzo,Quadrelli, Paolo. "g-C3N4/metal halide perovskite composites as photocatalysts for singlet oxygen generation processes for the preparation of various oxidized synthons". . p. 2292 - 2298. Retrieved 2021/04/12.