2,4-Dichloro-5-trifluoromethylpyrimidine supplier

Name
2,4-Dichloro-5-trifluoromethylpyrimidine
EINECS 609-648-4
CAS No. 3932-97-6
Article Data23
CAS DataBase
Density 1.627 g/cm³
Solubility
Melting Point
Formula C₅HCl₂F₃N₂
Boiling Point 230.1 °C at 760 mmHg
Molecular Weight 248.507
Flash Point 93 °C
Transport Information UN 2810
Appearance
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;
PSA 25.78000
LogP 2.80220

Synthetic route

: 54-20-6
5-trifluoromethyluracil

: 3932-97-6
2,4-dichloro-5-trifluoromethylpyrimidine

Conditions

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%

: trifluoromethyluracil

: 3932-97-6
2,4-dichloro-5-trifluoromethylpyrimidine

Conditions

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

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

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

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

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

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

Conditions

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

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;

: 3932-97-6
2,4-dichloro-5-trifluoromethylpyrimidine

: 108-95-2
phenol

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

Conditions

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

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%

: 106-47-8
4-chloro-aniline

: 3932-97-6
2,4-dichloro-5-trifluoromethylpyrimidine

A: 514842-83-2
(4-chlorophenyl)-(4-chloro-5-trifluoromethyl-pyrimidin-2-yl)-amine

B: 1448795-01-4
C11H6Cl2F3N3

Conditions

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℃; Stage #2: 4-chloro-aniline With triethylamine In diethyl ether; 1,2-dichloro-ethane; tert-butyl alcohol at 20℃;	A 95% B n/a

...Expand

: 75-89-8
2,2,2-trifluoroethanol

: 3932-97-6
2,4-dichloro-5-trifluoromethylpyrimidine

: 2,4-bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine

Conditions

Conditions	Yield
Stage #1: 2,2,2-trifluoroethanol With n-butyllithium In tetrahydrofuran; hexane at -20℃; for 0.5h; Inert atmosphere; Stage #2: 2,4-dichloro-5-trifluoromethylpyrimidine In tetrahydrofuran; hexane at -20 - 40℃; for 24.5h; Inert atmosphere;	91%
Stage #1: 2,2,2-trifluoroethanol With n-butyllithium In tetrahydrofuran; hexane at -20℃; for 0.5h; Inert atmosphere; Stage #2: 2,4-dichloro-5-trifluoromethylpyrimidine In tetrahydrofuran; hexane at -20 - 40℃; for 24.5h; Inert atmosphere;	91%
Stage #1: 2,2,2-trifluoroethanol With n-butyllithium In tetrahydrofuran; hexane at -20℃; for 0.5h; Inert atmosphere; Stage #2: 2,4-dichloro-5-trifluoromethylpyrimidine In tetrahydrofuran; hexane at 40℃; for 24h;	91%

: 3932-97-6
2,4-dichloro-5-trifluoromethylpyrimidine

: 54-20-6
5-trifluoromethyluracil

Conditions

Conditions	Yield
With acetic acid In water at 110℃; for 5h;	90.6%

: 3932-97-6
2,4-dichloro-5-trifluoromethylpyrimidine

: 304897-49-2
4-(4-tert-butoxycarbonyl-piperazino-methyl)-aniline

: 1393901-46-6
tert-butyl 4-(4-((4-chloro-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzyl)piperazine-1-carboxylate

Conditions

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 1h; Stage #2: 4-(4-tert-butoxycarbonyl-piperazino-methyl)-aniline With triethylamine In diethyl ether; 1,2-dichloro-ethane; tert-butyl alcohol at 20℃; Cooling with ice;	90%
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: 4-(4-tert-butoxycarbonyl-piperazino-methyl)-aniline With triethylamine In diethyl ether; 1,2-dichloro-ethane; tert-butyl alcohol at 0 - 20℃;	90%

: 875798-79-1
3-(4-aminophenyl)piperidine-1-carboxylic acid tert-butyl ester

: 3932-97-6
2,4-dichloro-5-trifluoromethylpyrimidine

: 1393900-90-7
tert-butyl 3-(4-((4-chloro-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylate

Conditions

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 0.5h; Stage #2: 3-(4-aminophenyl)piperidine-1-carboxylic acid tert-butyl ester In diethyl ether; 1,2-dichloro-ethane; tert-butyl alcohol at 0 - 20℃; for 60h;	90%
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: 3-(4-aminophenyl)piperidine-1-carboxylic acid tert-butyl ester With triethylamine In diethyl ether; 1,2-dichloro-ethane; tert-butyl alcohol at 0 - 20℃; for 60h;	90%

: 955369-50-3
tert-butyl 4-(4-amino-2-methylphenyl)-piperidine-1-carboxylate

: 3932-97-6
2,4-dichloro-5-trifluoromethylpyrimidine

: 1383682-55-0
tert-butyl 4-(4-((4-chloro-5-(trifluoromethyl)pyrimidine-2-yl)amino)-2-methylphenyl)piperidine-1-carboxylate

Conditions

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 1h; Inert atmosphere; Stage #2: tert-butyl 4-(4-amino-2-methylphenyl)-piperidine-1-carboxylate With triethylamine In 1,2-dichloro-ethane; tert-butyl alcohol at 0 - 20℃; for 16.5h;	89%

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 Irritant ,C Corrosive ,T Toxic
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 .

Product Name

2,4-Dichloro-5-trifluoromethylpyrimidine

Synthetic route

2,4-Dichloro-5-trifluoromethylpyrimidine Chemical Properties

2,4-Dichloro-5-trifluoromethylpyrimidine Safety Profile

2,4-Dichloro-5-trifluoromethylpyrimidine Specification

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