2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-

Base Information Edit

Chemical Name:2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-
CAS No.:42846-91-3
Molecular Formula:C8H12 N2 O3
Molecular Weight:184.195
Hs Code.:2933540000
European Community (EC) Number:255-966-8
DSSTox Substance ID:DTXSID7068421
Nikkaji Number:J309.986E
Wikidata:Q81995149
Mol file:42846-91-3.mol

Synonyms:42846-91-3;5-Isobutylbarbituric acid;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-;5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione;EINECS 255-966-8;5-(2-methylpropyl)pyrimidine-2,4,6(1H,3H,5H)-trione;isobutyl barbituric acid;Oprea1_389263;SCHEMBL2376604;DTXSID7068421;STK380707;AKOS005449675

Suppliers and Price of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-

Supply Marketing:Edit

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 4 raw suppliers

Chemical Property of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)- Edit

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：75.27000
Density:1.158g/cm³
LogP:0.67230
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:184.08479225
Heavy Atom Count:13
Complexity:240

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC1C(=O)NC(=O)NC1=O

Technology Process of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-

There total 5 articles about 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)- 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: 85.0%

: 10203-58-4
(2-methylpropyl)-propanedioic acid, diethyl ester

: 57-13-6
urea

: 42846-91-3
(methyl-2 propyl)-5 barbiturique

Guidance literature:: With sodium ethanolate; In ethanol; for 6h; Heating;

Reference yield:

: 5-(N-hydroxylamino)-5-(2-methylpropyl)barbituric acid

: 42846-91-3
(methyl-2 propyl)-5 barbiturique

Guidance literature:: With GLUTATHIONE; In methanol; aq. phosphate buffer; at 37 ℃; pH=7.4; Kinetics; Inert atmosphere;

Reference yield:

: sodium 5-(2-methylpropyl)barbiturate

: 42846-91-3
(methyl-2 propyl)-5 barbiturique

Guidance literature:: Multi-step reaction with 3 steps

1: sodium periodate / ethanol; water / 2 h / 25 °C

2: hydrogenchloride; water / ethanol / 36 h / -20 °C

3: GLUTATHIONE / aq. phosphate buffer; methanol / 37 °C / pH 7.4 / Inert atmosphere

With hydrogenchloride; sodium periodate; GLUTATHIONE; water; In methanol; aq. phosphate buffer; ethanol; water;