2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide

Base Information

• Chemical Name: 2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
• CAS No.: 769-97-1
• Molecular Formula: C5H5 N3 O3
• Molecular Weight: 155.1115
• NSC Number: 66692
• DSSTox Substance ID: DTXSID90290115
• Wikidata: Q82027707
• Mol file: 769-97-1.mol

Synonyms:2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide;769-97-1;2,4-dioxo-1H-pyrimidine-6-carboxamide;orotamide;Orotyl amide;NSC66692;SCHEMBL3455658;DTXSID90290115;HKFHIZASFFTQOK-UHFFFAOYSA-N;NSC-66692;STL140847;AKOS005746869;SB56942;CS-0045951;EN300-66861;Z33546649;2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxamide #

Chemical Property of 2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide

Chemical Property:

• Vapor Pressure: 1.24E-14mmHg at 25°C
• Boiling Point: 592.5°C at 760 mmHg
• Flash Point: 312.1°C
• PSA: 108.81000
• Density: 1.532g/cm³
• LogP: -1.13760
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 155.03309103
• Heavy Atom Count: 11
• Complexity: 268

Purity/Quality:

NLT 98% ^*data from raw suppliers

2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC(=O)NC1=O)C(=O)N

Technology Process of 2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide

There total 7 articles about 2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide 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: 36.0%

1,4-dihydroxybut-2-yne (110-65-6) + 6-chloromethyluracil (18592-13-7) → 6-{[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]methyl}pyrimidine-2,4(1H,3H)-dione (1346259-42-4) + Orotsaeure-amid (769-97-1)

Guidance literature:

With sodium azide; In N,N-dimethyl-formamide; at 120 ℃; for 72h; Inert atmosphere;

DOI:10.1135/cccc2011074

Reference yield:

6-Methyluracil (626-48-2) → Orotsaeure-amid (769-97-1)

Guidance literature:

With ammonia; potassium hexacyanoferrate(III); at 60 - 80 ℃;

Reference yield:

methyl orotate (6153-44-2) → Orotsaeure-amid (769-97-1)

Guidance literature:

With ammonia; water;

upstream raw materials:

6-Methyluracil

methyl orotate

2-(methylthio)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid

orotic acid

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