2-Bromo-1,3-bis(4-methylphenyl)propane-1,3-dione

Base Information

Chemical Name:2-Bromo-1,3-bis(4-methylphenyl)propane-1,3-dione
CAS No.:52046-56-7
Molecular Formula:C₁₇H₁₅BrO₂
Molecular Weight:331.209
Hs Code.:
DSSTox Substance ID:DTXSID201235761

Synonyms:52046-56-7;2-Bromo-1,3-di-p-tolylpropane-1,3-dione;2-Bromo-1,3-bis(4-methylphenyl)-1,3-propanedione;1,3-Propanedione, 2-bromo-1,3-bis(4-methylphenyl)-;2-bromo-1,3-bis(4-methylphenyl)propane-1,3-dione;1,3-bis(4-methylphenyl)-2-bromopropane-1,3-dione;starbld0013279;2-Bromo-1,3-dip-tolylpropane-1,3-dione;DTXSID201235761;AKOS005167258

Suppliers and Price of 2-Bromo-1,3-bis(4-methylphenyl)propane-1,3-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

Total 3 raw suppliers

Chemical Property of 2-Bromo-1,3-bis(4-methylphenyl)propane-1,3-dione

Chemical Property:

XLogP3:4.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:330.02554
Heavy Atom Count:20
Complexity:316

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(=O)C(C(=O)C2=CC=C(C=C2)C)Br

Technology Process of 2-Bromo-1,3-bis(4-methylphenyl)propane-1,3-dione

There total 2 articles about 2-Bromo-1,3-bis(4-methylphenyl)propane-1,3-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: 80.0%

: 3594-36-3
1,3-bis(p-methylphenyl)-1,3-propanedione

: 52046-56-7
2-bromo-1-(4-chlorophenyl)-3-phenylpropane-1,3-dione

Guidance literature:: With N-Bromosuccinimide; at 20 ℃; for 12h; regioselective reaction; Sealed tube;
DOI:10.1002/ejoc.201800994

Reference yield:

: 874-60-2
4-methyl-benzoyl chloride

: 52046-56-7
2-bromo-1-(4-chlorophenyl)-3-phenylpropane-1,3-dione

Guidance literature:: Multi-step reaction with 2 steps

1: (i) AlCl₃, (ii) aq. HCl

2: Br₂, Py

With pyridine; bromine;
DOI:10.1002/hlca.19740570736

Reference yield: 77.0%

: 96-45-7
N,N'-ethylenethiourea

: 52046-56-7
2-bromo-1-(4-chlorophenyl)-3-phenylpropane-1,3-dione

: 5147-80-8
[Bis(methylthio)methylene]malononitrile

: 4-amino-2-[4-cyano-2-(4-methylbenzoyl)-5-methylsulfanyl-3-thienylamino]-5-(4-methylbenzoyl)-3-thiophenecarbonitrile

Guidance literature:: N,N'-ethylenethiourea; [Bis(methylthio)methylene]malononitrile; In N,N-dimethyl-formamide; at 120 ℃; for 3h;

2-bromo-1-(4-chlorophenyl)-3-phenylpropane-1,3-dione; In ethanol; N,N-dimethyl-formamide; at 20 ℃; for 0.333333h;

With palladium diacetate; caesium carbonate; In ethanol; N,N-dimethyl-formamide; at 80 ℃; for 1h;
DOI:10.1039/c7ob01923h