1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile

Base Information

• Chemical Name: 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
• CAS No.: 25855-27-0
• Molecular Formula: C8 H7 N3 O2
• Molecular Weight: 177.16
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID50377072
• Wikidata: Q82166117
• Mol file: 25855-27-0.mol

Synonyms:25855-27-0;1-allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile;1-Allyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile;2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonitrile;2,4-Dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrile;SCHEMBL2248519;DTXSID50377072;MFCD01315928;AKOS005070086;SB56961;CS-0358076;FT-0680207;2L-903;J-504168;F2185-0377

Chemical Property of 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile

Chemical Property:

• Melting Point: 156-158°C
• Boiling Point: °Cat760mmHg
• PKA: 7.38±0.10(Predicted)
• Flash Point: °C
• PSA: 78.65000
• Density: 1.32g/cm³
• LogP: -0.40572
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 177.053826475
• Heavy Atom Count: 13
• Complexity: 348

Purity/Quality:

98%min ^*data from raw suppliers

1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCN1C=C(C(=O)NC1=O)C#N
• Uses: 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is used as a reactant in the preparation of N-?sulfanilyl-?l-?alkylcytosines as short-?acting sulfanilamides.

Technology Process of 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile

There total 1 articles about 1-Allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile 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:

→ 1-Allyl-5-cyanouracil (25855-27-0)

Guidance literature:

analog Shaw, Soc 1955 1834;

DOI:10.1021/jm00296a018