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Cas Database |
| Name |
2,4-Dichloro-5-trifluoromethylpyrimidine |
EINECS | 609-648-4 |
| CAS No. | 3932-97-6 | Density | 1.627 g/cm3 |
| PSA | 25.78000 | LogP | 2.80220 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5HCl2F3N2 | Boiling Point | 230.1 °C at 760 mmHg |
| Molecular Weight | 248.507 | Flash Point | 93 °C |
| Transport Information | UN 2810 | Appearance | N/A |
| Safety | 26-36/37/39-45 | Risk Codes | 36/37/38-36-25 |
| Molecular Structure |
|
Hazard Symbols |
 Xi,  C,  T
|
| Synonyms |
2,6-Dichloro-5-trifluoromethylpyrimidine;5-Trifluoromethyl-2,4-dichloropyrimidine; |
Article Data | 23 |
2,4-Dichloro-5-trifluoromethylpyrimidine Synthetic route
| Conditions | Yield |
|---|---|
| With phosphoric acid; N-ethyl-N,N-diisopropylamine; trichlorophosphate at 85 - 100℃; for 20h; | 95% |
| With phosphoric acid; N-ethyl-N,N-diisopropylamine; trichlorophosphate In water at 85 - 100℃; for 20.25h; | 95% |
| With N-ethyl-N,N-diisopropylamine; trichlorophosphate; phosphoric acid at 85 - 100℃; for 20.25h; | 95% |
- 3932-97-6
2,4-dichloro-5-trifluoromethylpyrimidine
| Conditions | Yield |
|---|---|
| With phosphoric acid; N-ethyl-N,N-diisopropylamine; trichlorophosphate at 85 - 100℃; for 20h; | 95% |
- 81290-20-2
(trifluoromethyl)trimethylsilane
- 13544-44-0
2,4-dichloro-5-iodopyrimidine
- 3932-97-6
2,4-dichloro-5-trifluoromethylpyrimidine
| Conditions | Yield |
|---|---|
| With potassium fluoride; copper(l) iodide; 1,10-Phenanthroline; Trimethyl borate In dimethyl sulfoxide at 60℃; for 2h; Inert atmosphere; | 81% |
- 3932-97-6
2,4-dichloro-5-trifluoromethylpyrimidine
- 170911-92-9
4-(4-aminophenyl)-1-t-butyloxycarbonylpiperazine
- 1393900-79-2
tert-butyl 4-(4-((4-chloro-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperazine-1-carboxylate
| Conditions | Yield |
|---|---|
| Stage #1: 2,4-dichloro-5-trifluoromethylpyrimidine With zinc(II) chloride In diethyl ether; 1,2-dichloro-ethane; tert-butyl alcohol at 0℃; for 0.833333h; Stage #2: 4-(4-aminophenyl)-1-t-butyloxycarbonylpiperazine With triethylamine In diethyl ether; 1,2-dichloro-ethane; tert-butyl alcohol at 0 - 20℃; for 18h; | 98% |
| Stage #1: 2,4-dichloro-5-trifluoromethylpyrimidine With zinc(II) chloride In diethyl ether; 1,2-dichloro-ethane; tert-butyl alcohol at 0℃; for 0.5h; Stage #2: 4-(4-aminophenyl)-1-t-butyloxycarbonylpiperazine With triethylamine In diethyl ether; 1,2-dichloro-ethane; tert-butyl alcohol at 0 - 20℃; for 18h; | 98% |
| Stage #1: 2,4-dichloro-5-trifluoromethylpyrimidine With zinc dibromide In 1,2-dichloro-ethane; tert-butyl alcohol at 0℃; for 0.5h; Stage #2: 4-(4-aminophenyl)-1-t-butyloxycarbonylpiperazine With triethylamine In 1,2-dichloro-ethane; tert-butyl alcohol at 0℃; for 3h; | 72.3% |
- 170011-57-1
tert-butyl 4-(4-aminophenyl)piperidin-1-carboxylate
- 3932-97-6
2,4-dichloro-5-trifluoromethylpyrimidine
- 1383682-52-7
tert-butyl 4-(4-((4-chloro-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylate
| Conditions | Yield |
|---|---|
| Stage #1: 2,4-dichloro-5-trifluoromethylpyrimidine With zinc(II) chloride In cis-1,2-Dichloroethylene; diethyl ether; butan-1-ol at 20℃; for 0.166667h; Stage #2: tert-butyl 4-(4-aminophenyl)piperidin-1-carboxylate With triethylamine In cis-1,2-Dichloroethylene; diethyl ether; butan-1-ol at 20℃; | 98% |
| Stage #1: 2,4-dichloro-5-trifluoromethylpyrimidine With zinc(II) chloride In diethyl ether; 1,2-dichloro-ethane; tert-butyl alcohol at 20℃; for 0.166667h; Stage #2: tert-butyl 4-(4-aminophenyl)piperidin-1-carboxylate With triethylamine In diethyl ether; 1,2-dichloro-ethane; tert-butyl alcohol at 20℃; | 98% |
| Stage #1: 2,4-dichloro-5-trifluoromethylpyrimidine With zinc(II) chloride In 1,2-dichloro-ethane; tert-butyl alcohol at 0℃; for 1h; Inert atmosphere; Stage #2: tert-butyl 4-(4-aminophenyl)piperidin-1-carboxylate With triethylamine In 1,2-dichloro-ethane; tert-butyl alcohol at 0 - 20℃; for 24.5h; | 88% |
| Stage #1: 2,4-dichloro-5-trifluoromethylpyrimidine With zinc(II) chloride In diethyl ether; 1,2-dichloro-ethane; tert-butyl alcohol at 0℃; for 1h; Inert atmosphere; Stage #2: tert-butyl 4-(4-aminophenyl)piperidin-1-carboxylate With triethylamine In diethyl ether; 1,2-dichloro-ethane; tert-butyl alcohol at 0 - 20℃; for 24.5h; | 88% |
- 3932-97-6
2,4-dichloro-5-trifluoromethylpyrimidine
- 94838-55-8
tert-butyl (4-aminobenzyl)carbamate
- 1073160-22-1
tert-butyl 4-((4-chloro-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzylcarbamate
| Conditions | Yield |
|---|---|
| Stage #1: 2,4-dichloro-5-trifluoromethylpyrimidine With zinc(II) chloride In diethyl ether; 1,2-dichloro-ethane; tert-butyl alcohol at 20℃; for 0.333333h; Stage #2: tert-butyl (4-aminobenzyl)carbamate With triethylamine at 20℃; | 97% |
- 111359-74-1
4-[(tert-butyldimethylsilyl)oxy]aniline
- 3932-97-6
2,4-dichloro-5-trifluoromethylpyrimidine
| Conditions | Yield |
|---|---|
| Stage #1: 2,4-dichloro-5-trifluoromethylpyrimidine With zinc dibromide In 1,2-dichloro-ethane; tert-butyl alcohol at 0℃; for 0.5h; Stage #2: 4-[(tert-butyldimethylsilyl)oxy]aniline With triethylamine In 1,2-dichloro-ethane; tert-butyl alcohol at 0 - 20℃; for 20h; | 97% |
| Stage #1: 2,4-dichloro-5-trifluoromethylpyrimidine With zinc dibromide In 1,2-dichloro-ethane; tert-butyl alcohol at 0℃; for 0.5h; Stage #2: 4-[(tert-butyldimethylsilyl)oxy]aniline With triethylamine In 1,2-dichloro-ethane; tert-butyl alcohol at 0 - 20℃; for 20h; | 97% |
- 100-02-7
4-nitro-phenol
- 3932-97-6
2,4-dichloro-5-trifluoromethylpyrimidine
- 1265228-21-4
4-chloro-2-(4-nitrophenoxyl)-5-trifluoromethyl pyrimidine
| Conditions | Yield |
|---|---|
| With 4-methyl-morpholine In isopropyl alcohol at -5 - 20℃; for 4h; | 96% |
| With 4-methyl-morpholine In isopropyl alcohol at -5 - 20℃; | 90% |
| In 1-methyl-pyrrolidin-2-one; isopropyl alcohol at -5 - 20℃; for 4h; Product distribution / selectivity; | 90% |
| With N-(2-(4-tert-butyl-piperazin-1-yl)-4-methoxyl-5-(6-(1-methyl-1H-indol-3-yl)-pyrimidin-4-ylamino)-phenyl)-acrylamide In isopropyl alcohol for 1h; Cooling with ice; |
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone at 0℃; for 1h; | 96% |
- 3932-97-6
2,4-dichloro-5-trifluoromethylpyrimidine
- 5188-07-8
sodium thiomethoxide
- 919116-36-2
4-chloro-2-methylsulfany l-5-(trifluoromethyl)pyrimidine
| Conditions | Yield |
|---|---|
| Stage #1: 2,4-dichloro-5-trifluoromethylpyrimidine With zinc(II) chloride In diethyl ether at 0℃; for 2h; Stage #2: sodium thiomethoxide In diethyl ether at 0 - 20℃; for 48h; | 95% |
| Stage #1: 2,4-dichloro-5-trifluoromethylpyrimidine With zinc(II) chloride In diethyl ether at 0℃; for 2h; Stage #2: sodium thiomethoxide In diethyl ether at 0 - 20℃; for 48h; | 95% |
| Stage #1: 2,4-dichloro-5-trifluoromethylpyrimidine With zinc(II) chloride In diethyl ether at 0℃; for 2h; Stage #2: sodium thiomethoxide In diethyl ether at 0 - 25℃; for 48h; | 95% |
2,4-Dichloro-5-trifluoromethylpyrimidine Chemical Properties
Product Name: 2,4-Dichloro-5-trifluoromethylpyrimidine (CAS NO.3932-97-6)
Molecular Formula: C5HCl2F3N2
Molecular Weight: 216.98g/mol
Mol File: 3932-97-6.mol
Boiling point: 230.1 °C at 760 mmHg
Flash Point: 93 °C
Density: 1.627 g/cm3
Index of Refraction: 1.47
Molar Refractivity: 37.2 cm3
Molar Volume: 133.2 cm3
Surface Tension: 35.1 dyne/cm
Enthalpy of Vaporization: 44.78 kJ/mol
Vapour Pressure: 0.101 mmHg at 25°C
XLogP3-AA: 3
H-Bond Donor: 0
H-Bond Acceptor: 5
Structure Descriptors of 2,4-Dichloro-5-trifluoromethylpyrimidine (CAS NO.3932-97-6):
IUPAC Name: 2,4-dichloro-5-(trifluoromethyl)pyrimidine
Canonical SMILES: C1=C(C(=NC(=N1)Cl)Cl)C(F)(F)F
InChI: InChI=1S/C5HCl2F3N2/c6-3-2(5(8,9)10)1-11-4(7)12-3/h1H
InChIKey: IDRUEHMBFUJKAK-UHFFFAOYSA-N
Product Categories: pharmacetical; Pyrimidine; Building Blocks; Halogenated; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrimidines
2,4-Dichloro-5-trifluoromethylpyrimidine Safety Profile
Safety Information of 2,4-Dichloro-5-trifluoromethylpyrimidine (CAS NO.3932-97-6):
Hazard Codes: Xi
,C
,T
Risk Statements: 36/37/38-36-25
R36/37/38:Irritating to eyes, respiratory system and skin.
R36:Irritating to eyes.
R25 :Toxic if swallowed.
Safety Statements: 26-36/37/39-45
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.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2810
Hazard Note: Irritant
HazardClass: CORROSIVE
2,4-Dichloro-5-trifluoromethylpyrimidine Specification
2,4-Dichloro-5-trifluoromethylpyrimidine , its CAS NO. is 3932-97-6, the synonyms are 5-Trifluoromethyl-2,4-dichloropyrimidine ; 2,4-Dichloro-5-(trifluoromethyl)pyrimidine .
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