6-Carboxymethyluracil

Base Information

• Chemical Name: 6-Carboxymethyluracil
• CAS No.: 4628-39-1
• Deprecated CAS: 5423-51-8
• Molecular Formula: C6H6 N2 O4
• Molecular Weight: 170.125
• Hs Code.: 2933599090
• European Community (EC) Number: 863-849-3
• NSC Number: 13201
• UNII: EF762EX2DY
• DSSTox Substance ID: DTXSID4063539
• Nikkaji Number: J421.732B
• Wikidata: Q27094014
• Metabolomics Workbench ID: 56656
• ChEMBL ID: CHEMBL593503
• Mol file: 4628-39-1.mol

Synonyms:6-Carboxymethyluracil;4628-39-1;Uracil-4-acetic acid;URACIL-6-ACETIC ACID;(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetic acid;2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetic acid;2-(2,4-dioxo-1H-pyrimidin-6-yl)acetic acid;1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidineacetic acid;uracil-6-ylacetic acid;(2,6-Dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yl)-acetic acid;NSC13201;EF762EX2DY;4-Pyrimidineacetic acid, 1,2,3,6-tetrahydro-2,6-dioxo-;2-(2,6-dihydroxypyrimidin-4-yl)acetic acid;CHEBI:46371;NSC 13201;NSC-13201;AI3-25481;Uracil-4acetic acid;D0O0AI;UNII-EF762EX2DY;6-URACILACETIC ACID;CHEMBL593503;SCHEMBL2108830;DTXSID4063539;HMS1780E14;HMS3604F17;MFCD00235023;STL280274;STL453506;AKOS003628642;AKOS006242089;DB03048;SB55898;BS-28684;UAA;(2,6-dihydroxypyrimidin-4-yl)acetic acid;FT-0695352;EN300-11441;J-500612;4-Pyrimidineacetic acid,2,3,6-tetrahydro-2,6-dioxo-;Q27094014;Z57046946;F1824-0001;2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)aceticacid;2-(2-HYDROXY-6-OXO-1,6-DIHYDROPYRIMIDIN-4-YL)ACETIC ACID

Chemical Property of 6-Carboxymethyluracil

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 103.02000
• Density: 1.479g/cm³
• LogP: -1.30970
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 170.03275668
• Heavy Atom Count: 12
• Complexity: 281

Purity/Quality:

98%min ^*data from raw suppliers

(2,6-Dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yl)-aceticacid ^*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)CC(=O)O
• Uses: (2,6-Dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yl)-acetic acid

Technology Process of 6-Carboxymethyluracil

There total 3 articles about 6-Carboxymethyluracil 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:

citric acid (77-92-9,906507-37-7) → 6-carboxymethyluracil (4628-39-1)

Guidance literature:

With sulfuric acid; sulfur trioxide; Beim anschliessenden Erwaermen mit Harnstoff;

DOI:10.1021/ja01344a060

Reference yield:

→ 6-carboxymethyluracil (4628-39-1)

Guidance literature:

With hydrogenchloride;

Reference yield:

→ 6-carboxymethyluracil (4628-39-1)

Guidance literature:

Herstellung von <2,6-Dioxo-1,2,3,6-tetrahydro-<2-¹⁴C>pyrimidin-4-yl>-essigsaeure;

upstream raw materials:

citric acid

Downstream raw materials:

orotic acid