Pyrimidine-2-carboxylic acid
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Pyrimidine-2-carboxylic acid
structure -
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CAS No:
31519-62-7
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Formula:
C5H4N2O2
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Chemical Name:
Pyrimidine-2-carboxylic acid
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Synonyms:
PYRIMIDINE-2-CARBOXYLIC ACID;RARECHEM AL BO 0759;TIMTEC-BB SBB005602;2-PYRIMIDINECARBOXYLIC ACID;2-CARBOXY-PYRIMIDINE;2-Pyrimidinecarboxylic acid (6CI,8CI,9CI);2-Pyrimidinecarboxylic acid(Crystalline solid);2-Pyrimidinecarboxylic ac...
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CAS No:
Characteristics
63.1
-0.5
White to off-white solid
1.4±0.1 g/cm3
182-185°C
362.6°C at 760 mmHg
173.1±23.2 °C
1.579
soluble in ethanol, Dimethyl sulfoxide (DMSO), Dimethylformamide (DMF), and solution of Phosphate Buffered Saline (PBS).
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36/37/39
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Pyrimidine-2-carboxylic acid Use and Manufacturing
Pyrimidine-2-carboxylic acid (11):To a stirred solution of pyrimidine-2-carbonitrile (10) (201 mg, 1.914 mmol) in water (5 mL), KOH (214.3 mg, 3.83 mmol) was added and the reaction was refluxed for 3 h. After consumption of the starting material (by TLC), the reaction was slowly brought to RT, neutralized with 2N HC1 and water was removed from the reaction mixture to give the crude residue which was extracted with EtOAc. The combined organic extracts were filtered through a pad of celite and the filtrate was concentrated under reduced pressure to provide compound 11 (84 mg, 35.4percent) which was carried for the next step without any purification.TLC: 80percent EtOAc/Hexane (RTo the flask was added 0.10g of 2cyanopyrimidine, 12percent by mass aqueous sodium hydroxide solution 13mL was stirred at 70 30 minutes. Of 1N dilutehydrochloric acid to pH ~ 3 by adding little by little and, by concentration of the resulting organic layer was extracted three times with 10mL of ethyl acetate, to give0.10g of Compound A218cyclohexylcarboxylic acids represented by cyclohexylcarboxylic acid, 5-pyridinecarboxylic acid, 2-pyridinecarboxylic acid, 5-Dissolve sodium dicyandiamide (0.0089g, 0.1mmol) and SmCl3 · 6H2O (0.0365g, 0.1mmol) in distilled water according to the metering ratio, and stir at room temperature for 30min.Then add pyrimidinate ligand (0.0248g, 0.2mmol) according to the metering ratio and stir at room temperature for 1h.The mixed solution after the reaction is filtered to remove the precipitate and the solvent is evaporated. The target product can be precipitated after about 3 days.The mass ratio of sodium dicyandiamide to pyrimidic acid and SmCl3 · 6H2O is 1: 4.10: 2.79.
Computed Properties
Molecular Weight:124.10
XLogP3:-0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:124.027277375
Monoisotopic Mass:124.027277375
Topological Polar Surface Area:63.1
Heavy Atom Count:9
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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