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3932-97-6

Basic Information
CAS No.: 3932-97-6
Name: 2,4-Dichloro-5-trifluoromethylpyrimidine
Article Data: 23
Molecular Structure:
Molecular Structure of 3932-97-6 (2,4-Dichloro-5-trifluoromethylpyrimidine)
Formula: C5HCl2F3N2
Molecular Weight: 248.507
Synonyms: 2,6-Dichloro-5-trifluoromethylpyrimidine;5-Trifluoromethyl-2,4-dichloropyrimidine;
EINECS: 609-648-4
Density: 1.627 g/cm3
Boiling Point: 230.1 °C at 760 mmHg
Flash Point: 93 °C
Hazard Symbols: IrritantXi, CorrosiveC, ToxicT
Risk Codes: 36/37/38-36-25
Safety: 26-36/37/39-45
Transport Information: UN 2810
PSA: 25.78000
LogP: 2.80220
Synthetic route
54-20-6

5-trifluoromethyluracil

3932-97-6

2,4-dichloro-5-trifluoromethylpyrimidine

Conditions
ConditionsYield
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%

trifluoromethyluracil

3932-97-6

2,4-dichloro-5-trifluoromethylpyrimidine

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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

N-(4-((tert-butyldimethylsilyl)oxy)phenyl)-4-chloro-5-(trifluoromethyl)pyrimidin-2-amine

Conditions
ConditionsYield
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
ConditionsYield
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;
3932-97-6

2,4-dichloro-5-trifluoromethylpyrimidine

108-95-2

phenol

2-chloro-4-phenoxy-5-(trifluoromethyl)pyrimidine

Conditions
ConditionsYield
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
ConditionsYield
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%
Raw Materials
54-20-6
Downstream Products
69034-12-4
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    2,4-dichloro-5-(trifluoromethyl)pyrimidine

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  • 2,4-Dichloro-5-trifluoromethylpyrimidine

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  • 2,4-Dichloro-5-trifluoromethylpyrimidine

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Chemistry

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 

Safety Profile

Safety Information of 2,4-Dichloro-5-trifluoromethylpyrimidine (CAS NO.3932-97-6):
Hazard Codes: XiIrritant,CCorrosive,TToxic
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  

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 .