ChemicalBook--->CAS DataBase List--->4595-61-3

4595-61-3

4595-61-3 Structure

4595-61-3 Structure
IdentificationMore
[Name]

5-Pyrimidinecarboxylic acid
[CAS]

4595-61-3
[Synonyms]

5-PYRIMIDINECARBOXYLIC ACID
AKOS 91242
PYRIMIDINE-5-CARBOXILIC ACID
PYRIMIDINE-5-CARBOXYLIC ACID
RARECHEM AK ML 0570
5-Pyrimidinecarboxylic acid (6CI,7CI,8CI,9CI)
5-Carboxypyrimidine
Pyrimidine-5-carboxylic acid ,98%
[EINECS(EC#)]

224-994-2
[Molecular Formula]

C5H4N2O2
[MDL Number]

MFCD00856162
[Molecular Weight]

124.1
[MOL File]

4595-61-3.mol
Chemical PropertiesBack Directory
[Melting point ]

259 °C
[Boiling point ]

318.7±15.0 °C(Predicted)
[density ]

1.403±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Solid
[pka]

2.74±0.10(Predicted)
[color ]

White to Yellow to Orange
[λmax]

275nm(H2O)(lit.)
[Detection Methods]

HPLC
[InChI]

1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)
[InChIKey]

IIVUJUOJERNGQX-UHFFFAOYSA-N
[SMILES]

OC(=O)c1cncnc1
[CAS DataBase Reference]

4595-61-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29335990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sulfuric acid-->Tetrahydrofuran-->Sodium carbonate-->n-Butyllithium-->Nitrogen-->Carbon dioxide-->Ethyl chloroformate-->5-Bromopyrimidine-->Ethyl 5-pyrimidinecarboxylate 98-->Hydrochloric acid
[Preparation Products]

Methyl pyrimidine-5-carboxylate
Hazard InformationBack Directory
[Chemical Properties]

White to off-white solid
[Uses]

Pyrimidine-5-carboxylic Acid is used in the preparation of heterocyclic compounds as an antiviral agent.
[Synthesis]

ETHYL 5-PYRIMIDINECARBOXYLATE  98

40929-50-8

5-Pyrimidinecarboxylic acid

4595-61-3

General procedure for the synthesis of pyrimidine-5-carboxylic acid from ethyl pyrimidine-5-carboxylate: 19.50 mL (149 mmol) of ethyl pyrimidine-5-carboxylate was mixed with 40 mL of 4 M sodium hydroxide solution at room temperature, and the reaction was oscillated for 0.1 hour. Subsequently, 40 mL of 4 M hydrochloric acid solution was added for neutralization. The precipitate formed in the reaction was separated by filtration, washed with petroleum ether and then dried. Finally, 14.80 g of pyrimidine-5-carboxylic acid was obtained in a yield of 80% of the theoretical value.

[References]

[1] Patent: US2007/259855, 2007, A1. Location in patent: Page/Page column 17-18
Spectrum DetailBack Directory
[Spectrum Detail]

5-Pyrimidinecarboxylic acid(4595-61-3)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Pyrimidinecarboxylic acid, 97%(4595-61-3)
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