1-(4-Bromo-3,5-dinitrocyclohexa-1,5-diene-1-carbonyl)-6-methyl-3-propan-2-yl-2-sulfanylidenepyrimidin-4-one

Base Information

Chemical Name:1-(4-Bromo-3,5-dinitrocyclohexa-1,5-diene-1-carbonyl)-6-methyl-3-propan-2-yl-2-sulfanylidenepyrimidin-4-one
CAS No.:7006-88-4
Molecular Formula:C15H15BrN4O6S
Molecular Weight:459.2718
Hs Code.:
DSSTox Substance ID:DTXSID40413872

Synonyms:7006-88-4;AC1NR17B;DTXSID40413872;AKOS002685057

Suppliers and Price of 1-(4-Bromo-3,5-dinitrocyclohexa-1,5-diene-1-carbonyl)-6-methyl-3-propan-2-yl-2-sulfanylidenepyrimidin-4-one

Supply Marketing:

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

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Chemical Property of 1-(4-Bromo-3,5-dinitrocyclohexa-1,5-diene-1-carbonyl)-6-methyl-3-propan-2-yl-2-sulfanylidenepyrimidin-4-one

Chemical Property:

Vapor Pressure:6.73E-13mmHg at 25°C
Boiling Point:567.6°Cat760mmHg
Flash Point:297°C
Density:1.71g/cm³
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:457.98957
Heavy Atom Count:27
Complexity:838

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=O)N(C(=S)N1C(=O)C2=CC(C(C(=C2)[N+](=O)[O-])Br)[N+](=O)[O-])C(C)C

Technology Process of 1-(4-Bromo-3,5-dinitrocyclohexa-1,5-diene-1-carbonyl)-6-methyl-3-propan-2-yl-2-sulfanylidenepyrimidin-4-one

There total 1 articles about 1-(4-Bromo-3,5-dinitrocyclohexa-1,5-diene-1-carbonyl)-6-methyl-3-propan-2-yl-2-sulfanylidenepyrimidin-4-one 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:

: 7006-88-4
p-Tolyl-imidophosphorsaeure-trimethylester

Guidance literature:: Trimethylphosphit, p-Tolylazid, Bzl., Erwaermen;

Reference yield: 66.0%

: 7006-88-4
p-Tolyl-imidophosphorsaeure-trimethylester

: 88284-48-4
2-(trimethylsilyl)phenyl trifluoromethanesulfonate

: 1579280-81-1
dimethyl 2-(4-methylphenylamino)phenylphosphonate

Guidance literature:: With cesium fluoride; In acetonitrile; at 0 - 25 ℃; for 26h; Inert atmosphere;
DOI:10.1002/ejoc.201301481

Reference yield:

: 7006-88-4
p-Tolyl-imidophosphorsaeure-trimethylester

: 25627-01-4
dimethyl p-tolylphosphoramidate

Guidance literature:: Multi-step reaction with 2 steps

2: silica gel / benzene

With silica gel; In benzene;
DOI:10.1039/j39690002813