2-Amino-4-(trifluoromethyl)pyrimidine
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2-Amino-4-(trifluoromethyl)pyrimidine
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CAS No:
16075-42-6
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Formula:
C5H4F3N3
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Chemical Name:
2-Amino-4-(trifluoromethyl)pyrimidine
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Synonyms:
2-AMINO-4-(TRIFLUOROMETHYL)PYRIMIDINE;4-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE;4-(TRIFLUOROMETHYL)PYRIMIDIN-2-YLAMINE;AKOS B024896;ART-CHEM-BB B024896;BUTTPARK 27\08-65;2-Amino-4-(trifluoromethyl)pyrimidine 97%;2-Amino-4-(trifluoromethyl)pyrimidine97%
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CAS No:
2-Amino-4-(trifluoromethyl)pyrimidine Basic Attributes
163.1
163.035736
1312995-182-4
DTXSID80344318
29335990
Characteristics
51.8
0.8
1.460±0.06 g/cm3(Predicted)
175-177°C
260.7±50.0 °C(Predicted)
111.5±30.1 °C
1.479
0.011mmHg at 25°C
Safety Information
Ⅲ
IRRITANT
2811
3
36/37/38-50-43-36-25
26-36/37/39-61-45-36/37
Xi,N,T
Irritant
P261-P264-P273-P301 + P310-P305 + P351 + P338-P342 + P311
H300-H319-H334-H400
|Danger|H300 (97.01%): Fatal if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P285, P301+P310, P304+P340, P304+P341, P305+P351+P338, P312, P321, P330, P337+P313, P342+P311, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 201 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Amino-4-(trifluoromethyl)pyrimidine Use and Manufacturing
Step2: To a solution of compound [63] (22.8 g, 2.4 mmol, I eq.), absolute ethanol ( lOOmL) was added and mixture was stirred at RT for 1 hrs. NaOH pellets (9.55g, 238 mmol, 1 eq.) were added and mixture was stirred at ambient temperature for 1 6 hrs. A solution of compound [84] was added by mean of dropping funnel over a period of 2 hrs. The mixture was further stirred for 2 hrs. The solvent was evaporated and residue was taken in water (500 ml) and stirred vigorously for 2 hrs and allowed to stand at RT overnight. The precipitates formed were filtered, dried under vaccum to obtain compound [85] as light yellow solid (20.6 g, 53percent)General procedure: Two mmol 5b1-5b20 was added to a dichloromethane solution containing 0.3 mL triethylamine at 0 C. Then 1.2 equiv. 3-chloropropionyl chloride was dissolved in dry dichloromethane, and the obtained mixture was slowly added to the aniline solution at 0 C. The reaction mixture was allowed to slowly warm up to room temperature, extracted with dichloromethane and finally washed with 2 M HCl. The organic phase was combined and dried with anhydrous MgSO4. Filtration and removal of the solvent under reduced pressure gave the crude product. The desired product was further purified by flash column chromatography with petroleum ether-EtOAc (20:1 to 10:1) to produce 6b1-6b20.To a stirred solution of
Computed Properties
Molecular Weight:163.10
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Exact Mass:163.03573163
Monoisotopic Mass:163.03573163
Topological Polar Surface Area:51.8
Heavy Atom Count:11
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Amino-4-(trifluoromethyl)pyrimidine
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