5-Methylorotic acid

Base Information

• Chemical Name: 5-Methylorotic acid
• CAS No.: 3993-73-5
• Molecular Formula: C6H6 N2 O4
• Molecular Weight: 170.125
• European Community (EC) Number: 223-640-4
• NSC Number: 667244,98530,52390
• UNII: X622X6K3B8
• DSSTox Substance ID: DTXSID3063257
• Nikkaji Number: J85.909E
• Wikidata: Q81990610
• Mol file: 3993-73-5.mol

Synonyms:5-Methylorotic acid;3993-73-5;Methylorotic acid;6-Thyminecarboxylic acid;5-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid;Orotic acid, 5-methyl-;EINECS 223-640-4;4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-5-methyl-2,6-dioxo-;5-methyl orotic acid;2,6-Dihydroxy-5-methyl-4-pyrimidinecarboxylic acid;5-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2,6-Dihydroxy-5-methyl-4-carboxy pyrimidine;NSC 52390;NSC 98530;X622X6K3B8;NSC-52390;NSC-98530;NSC667244;4-Pyrimidinecarboxylic acid, 2,6-dihydroxy-5-methyl-;NSC-667244;1,2,3,6-Tetrahydro-5-methyl-2,6-dioxopyrimidine-4-carboxylic acid;2,6-dihydroxy-5-methylpyrimidine-4-carboxylic acid;4-Pyrimidinecarboxylic acid,6-dihydroxy-5-methyl-;5-METHYLOROTICACID;4-Pyrimidinecarboxylic acid,2,3,6-tetrahydro-5-methyl-2,6-dioxo-;UNII-X622X6K3B8;SCHEMBL2894307;DTXSID3063257;SCHEMBL13828658;NSC52390;NSC98530;MFCD08582786;STK895054;AKOS003382324;AKOS006271501;AT35843;LS-08257;LS-134856;FT-0692771;2,6-dihydroxy-5-methyl-pyrimidine-4-carboxylic acid;1,2,3,6-tetrahydro-5-methyl-2,6-dioxo-4-pyrimidinecarboxylic acid

Chemical Property of 5-Methylorotic acid

Chemical Property:

• Melting Point: 327 °C
• Boiling Point: °Cat760mmHg
• PKA: 2.54±0.20(Predicted)
• Flash Point: °C
• PSA: 103.02000
• Density: 1.505g/cm³
• LogP: -0.93020
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 170.03275668
• Heavy Atom Count: 12
• Complexity: 305

Purity/Quality:

99%, ^*data from raw suppliers

5-Methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(NC(=O)NC1=O)C(=O)O

Technology Process of 5-Methylorotic acid

There total 5 articles about 5-Methylorotic 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:

2-(2,5-dioxo-imidazolidin-4-ylidene)-propionic acid ethyl ester (31615-89-1) → 5-methylorotic acid (3993-73-5)

Guidance literature:

With potassium hydroxide;

Reference yield:

→ 5-methylorotic acid (3993-73-5)

Guidance literature:

With hydrogenchloride;

Reference yield:

2-(2,5-dioxo-imidazolidin-4-ylidene)-propionic acid (57646-17-0) → 5-methylorotic acid (3993-73-5)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/jo01354a013

upstream raw materials:

2-(2,5-dioxo-imidazolidin-4-ylidene)-propionic acid

2-(2,5-dioxo-imidazolidin-4-ylidene)-propionic acid ethyl ester

Downstream raw materials:

Bromoform

5-methyl-2-oxo-6-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

Refernces