Probarbital calcium

Base Information

Chemical Name:Probarbital calcium
CAS No.:5628-27-3
Molecular Formula:C14H22 O4
Molecular Weight:243.2844
Hs Code.:
UNII:S5L624QX2J
DSSTox Substance ID:DTXSID10276234
Wikidata:Q27288681

Synonyms:Probarbital calcium;Ipral calcium;Calcium probarbital;S5L624QX2J;545-74-4;Calcium ethylisopropylbarbiturate;5-Ethyl-5-isopropylbarbituric acid calcium salt;UNII-S5L624QX2J;Barbituric acid, 5-ethyl-5-isopropyl-, calcium salt;DTXSID10276234;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylethyl)-, calcium salt (2:1);Q27288681;calcium;5-ethyl-2,6-dioxo-5-propan-2-ylpyrimidin-4-olate;CALCIUM BIS(5-ETHYL-4,6-DIOXO-5-(PROPAN-2-YL)-1,4,5,6-TETRAHYDROPYRIMIDIN-2-OLATE)

Suppliers and Price of Probarbital calcium

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 0 raw suppliers

Chemical Property of Probarbital calcium

Chemical Property:

Vapor Pressure:2.04E-08mmHg at 25°C
Boiling Point:453.6°Cat760mmHg
Flash Point:228.1°C
PSA：170.16000
Density:1.48g/cm³
LogP:1.65820
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:434.1478254
Heavy Atom Count:29
Complexity:309

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1(C(=O)NC(=O)N=C1[O-])C(C)C.CCC1(C(=O)NC(=O)N=C1[O-])C(C)C.[Ca+2]

Technology Process of Probarbital calcium

There total 9 articles about Probarbital calcium 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: 100.0%

: 82997-81-7
diethyl 3,3'-(2,5-dimethoxy-p-phenylene)dipropionate

: 5628-27-3
3,3'-(2,5-Dimethoxy-1,4-phenylen)di-1-propanol

Guidance literature:: With lithium aluminium tetrahydride; In N,N-dimethyl-formamide; for 1h; Ambient temperature;

Reference yield:

: 3752-97-4
1,4-bis(chloromethyl)-2,5-dimethoxybenzene

: 5628-27-3
3,3'-(2,5-Dimethoxy-1,4-phenylen)di-1-propanol

Guidance literature:: Multi-step reaction with 3 steps

1: 75 percent / NaOEt

2: 79 percent / NaCl / dimethylsulfoxide; H₂O / 4 h / Heating

3: 82 percent / LiAlH₄ / tetrahydrofuran

With lithium aluminium tetrahydride; sodium ethanolate; sodium chloride; In tetrahydrofuran; water; dimethyl sulfoxide;

Reference yield:

: 82063-02-3
3,3'-(2,5-dimethoxy-p-phenylene)bispropenoic acid

: 5628-27-3
3,3'-(2,5-Dimethoxy-1,4-phenylen)di-1-propanol

Guidance literature:: Multi-step reaction with 3 steps

1: 85 percent / hydrazine hydrate / Raney nickel / aq. NaOH; ethanol / 90 °C

2: 81 percent / cc sulphuric acid / 4 h / Heating

3: 100 percent / lithiumaluminium hydride / dimethylformamide / 1 h / Ambient temperature

With lithium aluminium tetrahydride; sulfuric acid; hydrazine hydrate; nickel; In sodium hydroxide; ethanol; N,N-dimethyl-formamide;