1,3-Indandione, 2-(4-methylphenyl)-

Base Information

Chemical Name:1,3-Indandione, 2-(4-methylphenyl)-
CAS No.:7561-48-0
Molecular Formula:C16H12O2
Molecular Weight:236.27
Hs Code.:2914399090
European Community (EC) Number:688-690-5
DSSTox Substance ID:DTXSID30226519
Nikkaji Number:J631.200D
Wikidata:Q83105975
ChEMBL ID:CHEMBL42251
Mol file:7561-48-0.mol

Synonyms:7561-48-0;2-(4-METHYLPHENYL)-1H-INDENE-1,3(2H)-DIONE;1,3-Indandione, 2-(4-methylphenyl)-;2-(4-methylphenyl)indene-1,3-dione;2-(4-Methylphenyl)-1,3-indandione;BRN 2106995;2-(p-Tolyl)-1H-indene-1,3(2H)-dione;2-p-Tolyl-indan-1,3-dione;1H-Indene-1,3(2H)-dione, 2-(4-methylphenyl)-;4-07-00-02581 (Beilstein Handbook Reference);Maybridge3_005874;Cambridge id 5103385;Oprea1_439782;MLS001182223;CHEMBL42251;SCHEMBL10559578;DTXSID30226519;HMS1447K22;HMS2860D14;MFCD00176195;2-(4-methylphenyl)indane-1,3-dione;AKOS000645705;CCG-103150;IDI1_017261;NCGC00246647-01;BS-36278;LS-81239;SMR000567961;CS-0358876;SR-01000389254;SR-01000389254-1;2-(4-methylphenyl)-2,3-dihydro-1H-indene-1,3-dione

Suppliers and Price of 1,3-Indandione, 2-(4-methylphenyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

ChemBridge Corporation
2-(4-methylphenyl)-1H-indene-1,3(2H)-dione 95%
1 g
$ 46.00

American Custom Chemicals Corporation
2-(4-METHYLPHENYL)-1H-INDENE-1,3(2H)-DIONE 95.00%
5MG
$ 498.33

Total 6 raw suppliers

Chemical Property of 1,3-Indandione, 2-(4-methylphenyl)-

Chemical Property:

Vapor Pressure:2.28E-07mmHg at 25°C
Boiling Point:423.2°C at 760 mmHg
Flash Point:158.2°C
PSA：34.14000
Density:1.23g/cm³
LogP:3.15780
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:236.083729621
Heavy Atom Count:18
Complexity:328

Purity/Quality:

95% ^*data from raw suppliers

2-(4-methylphenyl)-1H-indene-1,3(2H)-dione 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O

Technology Process of 1,3-Indandione, 2-(4-methylphenyl)-

There total 11 articles about 1,3-Indandione, 2-(4-methylphenyl)- 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: 96.2%

: 2947-61-7
(4-methylphenyl)acetonitrile

: 618-32-6
Benzoyl bromide

: 7561-48-0
2-(4-methylphenyl)indan-1,3-dione

Guidance literature:: With 1,4-diaza-bicyclo[2.2.2]octane; bis(di-tert-?butyl(4-?dimethylaminophenyl)?phosphine)?dichloropalladium(II); trimethylphosphine(hexafluoroacetylacetonato)copper(I); 1-butyl-3-methylimidazolium trifluoromethanesulfonimide salt; silver trifluoromethanesulfonate; In ethylene glycol; dimethyl sulfoxide; at 80 ℃; for 4h; Reagent/catalyst; Inert atmosphere;

Reference yield: 86.0%

: 606-23-5
1H-indene-1,3(2H)-dione

: 624-31-7
4-tolyl iodide

: 7561-48-0
2-(4-methylphenyl)indan-1,3-dione

Guidance literature:: With dichloro bis(acetonitrile) palladium(II); potassium tert-butylate; tert-butyl XPhos; In 1,4-dioxane; at 110 ℃; for 12h; Sealed tube; Inert atmosphere;
DOI:10.1021/acs.joc.1c01149