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4116-38-5,MFCD00090746
Catalog No.:AA00BZTE

4116-38-5 | 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

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Purity
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100mg
98+%
in stock  
$22.00   $15.00
- +
250mg
98+%
in stock  
$26.00   $18.00
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1g
98+%
in stock  
$63.00   $44.00
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5g
98+%
in stock  
$222.00   $156.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BZTE
Chemical Name:
1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
CAS Number:
4116-38-5
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
MDL Number:
MFCD00090746
SMILES:
O=c1cc(C(=O)O)n(c(=O)n1C)C
Properties
Properties
 
BP:
308°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
321  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
-0.9  

Downstream Synthesis Route

[1]Foxetal.[BiochimicaetBiophysicaActa,1957,vol.23,p.295,303]

[1]AustralianJournalofChemistry,1985,vol.38,p.637-641

4116-38-5   
1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonylchloride 

[1]Deady,LeslieW.[AustralianJournalofChemistry,1985,vol.38,#4,p.637-641]

[1]JournaloftheAmericanChemicalSociety,1982,vol.104,p.6434-6439

[2]JournaloftheAmericanChemicalSociety,1980,vol.102,p.3049-3056

[3]JournaloftheAmericanChemicalSociety,1980,vol.102,p.3049-3056

[1]Deady,LeslieW.[AustralianJournalofChemistry,1985,vol.38,#4,p.637-641]

Literature

Title: Surprisingly low aqueous acidity at the alpha-positions of pyridiniums and pyrimidinium: the role of solvation.

Journal: Organic letters 20080703

Title: Accelerated decarboxylation of 1,3-dimethylorotic acid in ionic liquid.

Journal: Bioorganic chemistry 20060401

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SDS
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