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1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid

1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid structure

CAS No:
23945-44-0
Formula:
C5H4N2O4
Chemical Name:
1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid
Synonyms:
5-Pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-2,4-dioxo-;5-Pyrimidinecarboxylic acid,2,4-dihydroxy-;1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid;2,4-Dihydroxy-5-pyrimidinecarboxylic acid;5-Uracilcarboxylic acid;Isoorotic acid;5-Carboxyuracil;5-Carboxy-2,4-dihydroxypyrimidine;2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid;NSC 1589;NSC 79561;2,4-Dioxo-1H-pyrimidine-5-carboxylic acid;394-40-1
Categories:
Biochemical Engineering > Nucleoside Drugs

Description

white to slightly yellow crystalline powder or

Uracil-5-carboxylic acid is a pyrimidinemonocarboxylic acid. It derives from a uracil. It is a conjugate acid of a uracil-5-carboxylate.

1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid Basic Attributes

Molecular Weight：

156.1

Exact Mass：

156.10

EC Number：

245-947-2

UNII：

G7JYK59EBR

NSC Number：

1589

DSSTox ID：

DTXSID1066942

HScode：

2933599090

Characteristics

PSA：

95.5

XLogP3：

-0.7

Appearance：

White to slightly yellow Crystalline Powder

Density：

1.8±0.1 g/cm3

Melting Point：

283 °C

Boiling Point：

564.9°C at 760 mmHg

Flash Point：

295.4±32.9 °C

Refractive Index：

1.705

Water Solubility：

1.8g/L(20 ºC)

Storage Conditions：

Refrigerator

Collision Cross Section：

139.8 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|118.9 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|119.3 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

24/25

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Drug Information

MeSH Entry Terms：

uracil-5-carboxylic acid

1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid Use and Manufacturing

Methods of Manufacturing

Add 100 g of thymine and 300 mL of water to the autoclave, and add 35 mL of hydrogen peroxide at a concentration of 30percent.15 g of 1-hydroxy-1, 2, 3-benzotriazine-4(3H)-one and 35 g of the catalyst prepared in Example 3, replacing the inside of the autoclave with an oxygen atmosphere, and heating to 130 ° C for 3 h.The reaction solution was cooled, filtered, concentrated, and placed in an ice-water mixture to cool.150 g of a white solid was precipitated, the yield was 96.1percent, and the purity was 99.3percent.A. Steviolbioside According to the procedure of H. B. Wood, R. Allerton, H. W. Diehl, and H. G. Fletcher (J. Org. Chem. 20, 875-883 (1955)), 771 mg (0.96 mmole) of stevioside was saponified with 25 mls 10percent KOH at reflux for 1 hour. After cooling, the reaction mixture was acidified to pH 3 with 10percent H2 SO4. After further ice-bath cooling for several hours, filtration yielded a white solid. Recrystallization from methanol yielded 560 mg (91percent) of steviolbioside as a white flocculent solid.

Uses

Used as pharmaceutical intermediate

Manufacturing Info：

5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-: INACTIVE

Computed Properties

Molecular Weight:156.10
XLogP3:-0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:156.01710661
Monoisotopic Mass:156.01710661
Topological Polar Surface Area:95.5
Heavy Atom Count:11
Complexity:268
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Sodium hydroxide

Urea

Ethanol

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Guide of 1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid

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