3-[(4-Chlorophenyl)methyl]pentane-2,4-dione

Base Information

Chemical Name:3-[(4-Chlorophenyl)methyl]pentane-2,4-dione
CAS No.:61713-41-5
Molecular Formula:C12H13ClO2
Molecular Weight:224.687
Hs Code.:2914790090
DSSTox Substance ID:DTXSID10363395
Wikidata:Q82147066
Mol file:61713-41-5.mol

Synonyms:3-[(4-chlorophenyl)methyl]pentane-2,4-dione;61713-41-5;3-(4-chlorobenzyl)-2,4-pentanedione;3-(4-chlorobenzyl)pentane-2,4-dione;SCHEMBL3773871;DTXSID10363395;MFCD00815255;AKOS005104325;CS-0365665;9M-733

Suppliers and Price of 3-[(4-Chlorophenyl)methyl]pentane-2,4-dione

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

American Custom Chemicals Corporation
3-(4-CHLOROBENZYL)-2,4-PENTANEDIONE 95.00%
5MG
$ 687.35

American Custom Chemicals Corporation
3-(4-CHLOROBENZYL)-2,4-PENTANEDIONE 95.00%
10MG
$ 679.14

American Custom Chemicals Corporation
3-(4-CHLOROBENZYL)-2,4-PENTANEDIONE 95.00%
1MG
$ 647.61

Total 4 raw suppliers

Chemical Property of 3-[(4-Chlorophenyl)methyl]pentane-2,4-dione

Chemical Property:

Boiling Point:316.1±27.0 °C(Predicted)
PKA:10.05±0.59(Predicted)
PSA：34.14000
Density:1.153±0.06 g/cm3(Predicted)
LogP:2.67670
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:224.0604073
Heavy Atom Count:15
Complexity:228

Purity/Quality:

99% ^*data from raw suppliers

3-(4-CHLOROBENZYL)-2,4-PENTANEDIONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C(CC1=CC=C(C=C1)Cl)C(=O)C

Technology Process of 3-[(4-Chlorophenyl)methyl]pentane-2,4-dione

There total 3 articles about 3-[(4-Chlorophenyl)methyl]pentane-2,4-dione 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%

: 19411-75-7
3-(4-chlorobenzylidene)pentane-2,4-dione

: 61713-41-5
3-(4-chlorobenzyl)pentane-2,4-dione

Guidance literature:: With triethylsilane; iron(III) chloride hexahydrate; In dichloromethane; at 20 ℃; for 5h; chemoselective reaction;
DOI:10.1016/j.tetlet.2018.07.041