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| CAS No.: | 2927-71-1 |
|---|---|
| Name: | 2,4-Dichloro-5-fluoropyrimidine |
| Article Data: | 43 |
| Molecular Structure: | |
|
|
|
| Formula: | C4HCl2FN2 |
| Molecular Weight: | 166.97 |
| Synonyms: | 5-Fluoro-2,4-dichloropyrimidine;2,4-Dichloro-5-fluorouracil; |
| EINECS: | 249-616-3 |
| Density: | 1.605 g/cm3 |
| Melting Point: | 37-41 °C(lit.) |
| Boiling Point: | 222.8 °C at 760 mmHg |
| Flash Point: | 88.6 °C |
| Appearance: | yellow to orange crystalline solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 25.78000 |
| LogP: | 1.92250 |
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- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
| Conditions | Yield |
|---|---|
| Stage #1: 5-fluoro-2,4-dimethoxypyrimidine With thionyl chloride In chloroform at 0℃; for 0.5h; UV-irradiation; Stage #2: With chlorine In chloroform at 20℃; for 12h; Solvent; Wavelength; UV-irradiation; | 98% |
| Conditions | Yield |
|---|---|
| With trichlorophosphate In N,N-dimethyl-aniline at 100℃; for 13h; Inert atmosphere; Large scale; | 95% |
| With pyridine; trichlorophosphate at 180℃; under 150.015 - 900.09 Torr; for 2h; Neat (no solvent); | 93% |
| With dimethyl amine; trichlorophosphate at 95 - 120℃; for 4h; | 92% |
| Conditions | Yield |
|---|---|
| With dimethyl amine; trichlorophosphate at 95 - 120℃; for 4h; | 94% |
| With phosphorus pentachloride for 4h; Heating; | 91% |
| Stage #1: 5-fluorouracil With trichlorophosphate at 95℃; for 3.5h; Stage #2: With hydrogenchloride In water at 0 - 20℃; | 87% |
| Conditions | Yield |
|---|---|
| With hydrogen; triethylamine; palladium on activated charcoal In ethyl acetate at 30℃; under 2625.2 Torr; | 87% |
| Conditions | Yield |
|---|---|
| With magnesium In tetrahydrofuran |
- 110-91-8
morpholine
- 2927-71-1
2,4-dichloro-5-fluoropyrimidine
- 31646-53-4
4-(2-chloro-5-fluoro-pyrimidin-4-yl)morpholine
| Conditions | Yield |
|---|---|
| In water at 60 - 70℃; for 2.5h; | 100% |
| With N-ethyl-N,N-diisopropylamine In ethanol Reflux; regioselective reaction; | 95% |
| With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide for 1h; Inert atmosphere; Reflux; | 85% |
- 110-89-4
piperidine
- 2927-71-1
2,4-dichloro-5-fluoropyrimidine
- 40423-82-3
2-chloro-5-fluoro-4-piperidin-1-yl-pyrimidine
| Conditions | Yield |
|---|---|
| In water at 60 - 70℃; for 2.5h; | 100% |
- 21867-64-1
1-n-propylpiperazine
- 2927-71-1
2,4-dichloro-5-fluoropyrimidine
| Conditions | Yield |
|---|---|
| In water at 60 - 70℃; for 2.5h; | 100% |
| Conditions | Yield |
|---|---|
| With ammonium hydroxide at 60 - 70℃; for 2.5h; | 100% |
| With ammonia In water Substitution; | |
| With ammonium hydroxide In ethanol at 25 - 35℃; for 3.5h; |
- 956125-05-6
(R)-tert-butyl (1-aminobutan-2-yl)carbamate
- 2927-71-1
2,4-dichloro-5-fluoropyrimidine
- 956125-24-9
{(R)-1-[(2-Chloro-5-fluoro-pyrimidin-4-ylamino)-methyl]-propyl}-carbamic acid tert-butyl ester
| Conditions | Yield |
|---|---|
| With triethylamine In acetonitrile at 0℃; for 3h; | 100% |
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Chemistry
Molecular Structure of 2,4-DiChloro-5-fluoropyrimidine (CAS No.2927-71-1):
Molecular Formula: C4HCl2FN2
Molecular Weight: 166.9685
IUPAC Name: 2,4-Dichloro-5-fluoropyrimidine
CAS No: 2927-71-1
Melting Point: 37-41 ºC
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 25.78 Å2
Index of Refraction: 1.531
Molar Refractivity: 32.21 cm3
Molar Volume: 103.9 cm3
Surface Tension: 48.4 dyne/cm
Density: 1.605 g/cm3
Flash Point: 88.6 °C
Enthalpy of Vaporization: 44.06 kJ/mol
Boiling Point: 222.8 °C at 760 mmHg
Vapour Pressure: 0.148 mmHg at 25°C
Appearance: Yellow to Orange Crystalline Solid
InChI: InChI=1/C4HCl2FN2/c5-3-2(7)1-8-4(6)9-3/h1H
InChIKey: WHPFEQUEHBULBW-UHFFFAOYAO
Std. InChI: InChI=1S/C4HCl2FN2/c5-3-2(7)1-8-4(6)9-3/h1H
Std. InChIKey: WHPFEQUEHBULBW-UHFFFAOYSA-N
Product Categories: Pyrimidine Series;Heterocycles;Pyridines, Pyrimidines, Purines and Pteredines;pharmacetical;Halides;Pyrazines, Pyrimidines Pyridazines;Pyrimidine;Building Blocks;Fluorinated;Nucleotides and Nucleosides;Bases & Related Reagents;Nucleotides;Pyrazines, Pyrimidines Pyridazines;Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;Pyrimidines;PyrimidinesHeterocyclic Building Blocks
Uses
2,4-Dichloro-5-fluoropyrimidine(2927-71-1) is used as intermediate of antifungal flucytosine.
Production
2,4-Dichloro-5-fluoropyrimidine(2927-71-1) can be produced by chloridizing 5-Fluorouracil.
Safety Profile
Safety Information of 2,4-Dichloro-5-fluoropyrimidine(2927-71-1):
Hazard Codes:
Xi
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:26-36-37/39
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
37/39:Wear suitable gloves and eye/face protection
WGK Germany:3
Hazard Note:Irritant
Specification
2,4-DiChloro-5-fluoropyrimidine (CAS No.2927-71-1), it also can be called Pyrimidine, 2,4-dichloro-5-fluoro- .