2,4(1H,3H)-Pyrimidinedione-6-d(9CI) supplier

Name
URACIL-6-D1
EINECS
CAS No. 24897-51-6
Article Data3
CAS DataBase
Density 1.333 g/cm³
Solubility
Melting Point 320-322 °C (decomp)
Formula C₄H₃DN₂O₂
Boiling Point
Molecular Weight 113.08
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Uracil-6-d(7CI,8CI);
PSA 65.72000
LogP -0.93680

2,4(1H,3H)-Pyrimidinedione-6-d(9CI) Specification

The 2,4(1H,3H)-Pyrimidinedione-6-d(9CI), with the CAS registry number 24897-51-6, is also known as Uracil-6-D1. This chemical's molecular formula is C₄H₃DN₂O₂ and molecular weight is 113.09. Its systematic name is called (6-²H)Pyrimidine-2,4(1H,3H)-dione.

Physical properties of 2,4(1H,3H)-Pyrimidinedione-6-d(9CI): (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 6.494; (4)ACD/KOC (pH 7.4): 5.915; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)Index of Refraction: 1.502; (8)Molar Refractivity: 25.008 cm³; (9)Molar Volume: 84.809 cm³; (10)Surface Tension: 41.304 dyne/cm; (11)Density: 1.333 g/cm³.

Preparation: this chemical can be prepared by 3-deuterio-propynoic acid and urea. This reaction will need reagent polyphosphoric acid. The reaction time is 4.5 hours with reaction temperature of 90 °C. The yield is about 49%.

2,4(1H,3H)-Pyrimidinedione-6-d(9CI) can be prepared by 3-deuterio-propynoic acid and urea

Uses of 2,4(1H,3H)-Pyrimidinedione-6-d(9CI): it can be used to produce 1-carboxymethyluracil-6-d by heating. This reaction will need reagent aq. KOH with reaction time of 1 hour. The yield is about 42%.

2,4(1H,3H)-Pyrimidinedione-6-d(9CI) can be used to produce 1-carboxymethyluracil-6-d by heating

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]c1cc(=O)[nH]c(=O)[nH]1
(2)InChI: InChI=1/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)/i2D
(3)InChIKey: ISAKRJDGNUQOIC-VMNATFBRET

Product Name

URACIL-6-D1

2,4(1H,3H)-Pyrimidinedione-6-d(9CI) Specification

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