5-Ethyl-5-phenyl-4-iminobarbituric acid

Base Information

Chemical Name:5-Ethyl-5-phenyl-4-iminobarbituric acid
CAS No.:58042-96-9
Molecular Formula:C₁₂H₁₃N₃O₂
Molecular Weight:231.254
Hs Code.:
Mol file:58042-96-9.mol

Synonyms:5-ethyl-6-imino-5-phenyl-1,3-diazinane-2,4-dione;5-Ethyl-5-phenyl-4-iminobarbituric acid;HUYKEYWPDBRCSH-UHFFFAOYSA-N

Suppliers and Price of 5-Ethyl-5-phenyl-4-iminobarbituric acid

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

Biosynth Carbosynth
Phenobarbital impurity B
25 mg
$ 575.00

Biosynth Carbosynth
Phenobarbital impurity B
10 mg
$ 300.00

Total 11 raw suppliers

Chemical Property of 5-Ethyl-5-phenyl-4-iminobarbituric acid

Chemical Property:

Melting Point:264 °C
PKA:8.17±0.60(Predicted)
Density:1.32±0.1 g/cm3(Predicted)
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:231.100776666
Heavy Atom Count:17
Complexity:372

Purity/Quality:

98%, ^*data from raw suppliers

Phenobarbital impurity B ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC1(C(=NC(=O)NC1=O)N)C2=CC=CC=C2
Uses 6-Amino-5-ethyl-5-phenyl-2,4(3H,5H)-pyrimidinedione is a Phenobarbital (P316760) impurity, a controlled substance (depressant). Anticonvulsant; sedative; hypnotic.

Technology Process of 5-Ethyl-5-phenyl-4-iminobarbituric acid

There total 2 articles about 5-Ethyl-5-phenyl-4-iminobarbituric acid 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:

: Natrium-Verbindung des (+/-)-Phenyl-cyan-essigsaeure-aethylesters

: 58042-96-9
6-amino-5-ethyl-5-phenyl-5H-pyrimidine-2,4-dione

Guidance literature:: Multi-step reaction with 2 steps

1: diethyl ether

2: ethanol

With diethyl ether; ethanol;
DOI:10.1021/ja01305a036