2,4,6-Trichloropyrimidine supplier

Name
2,4,6-Trichloropyrimidine
EINECS 223-183-0
CAS No. 3764-01-0
Article Data28
CAS DataBase
Density 1.641 g/cm³
Solubility Insoluble in water
Melting Point 23-25 °C(lit.)
Formula C₄HCl₃N₂
Boiling Point 212.7 °C at 760 mmHg
Molecular Weight 183.424
Flash Point 102.5 °C
Transport Information UN1759
Appearance clear colorless to yellowish liquid after melting
Safety 26-36
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms AI3-26566;CCRIS 7597;NSC 6494;
PSA 25.78000
LogP 2.43680

Synthetic route

: 104-90-5
5-ethyl-2-methyl-pyridine

: 67-52-7
BARBITURIC ACID

: 3764-01-0
2,4,6-trichloropyrimidine

Conditions

Conditions	Yield
With anhydrous phosphorus trichloride; chlorine; trichlorophosphate	96%

: 67-52-7
BARBITURIC ACID

: 3764-01-0
2,4,6-trichloropyrimidine

Conditions

Conditions	Yield
	93%
With 1-methyl-pyrrolidin-2-one; anhydrous phosphorus trichloride; chlorine; trichlorophosphate	90%
With anhydrous phosphorus trichloride; chlorine; trichlorophosphate In water	81%

: 67-52-7
pyrimidine-2,4,6-triol

: 3764-01-0
2,4,6-trichloropyrimidine

Conditions

Conditions	Yield
With N,N-dimethyl-aniline; trichlorophosphate for 3h; Reflux;	85%

: 56-05-3
2-Amino-4,6-dichloropyrimidine

: 3764-01-0
2,4,6-trichloropyrimidine

Conditions

Conditions	Yield
Stage #1: 2-Amino-4,6-dichloropyrimidine With tert.-butylnitrite In N,N-dimethyl-formamide; acetonitrile at 20℃; Sandmeyer Reaction; Flow reactor; Stage #2: With copper dichloride In ethylene glycol; N,N-dimethyl-formamide; acetonitrile at 82℃; Sandmeyer Reaction; Flow reactor;	20%

: 824-72-6
P,P-dichlorophenylphosphine oxide

: 67-52-7
BARBITURIC ACID

: 3764-01-0
2,4,6-trichloropyrimidine

Conditions

Conditions	Yield
at 185℃;

: 67-52-7
BARBITURIC ACID

: 15493-07-9
dichlorotriphenoxyphosphorane

: 3764-01-0
2,4,6-trichloropyrimidine

Conditions

Conditions	Yield
at 200℃;

: 141-82-2
malonic acid

: 57-13-6
urea

: 3764-01-0
2,4,6-trichloropyrimidine

Conditions

Conditions	Yield
With trichlorophosphate

: 67-52-7
BARBITURIC ACID

: 10025-87-3, 12599-09-6, 63736-95-8
trichlorophosphate

: 3764-01-0
2,4,6-trichloropyrimidine

Conditions

Conditions	Yield
at 130 - 140℃; im Rohr;

: 141-82-2
malonic acid

: 57-13-6
urea

: 10025-87-3, 12599-09-6, 63736-95-8
trichlorophosphate

A: 3764-01-0
2,4,6-trichloropyrimidine

B: 67-52-7
BARBITURIC ACID

...Expand

: 141-82-2
malonic acid

: 57-13-6
urea

: 10025-87-3, 12599-09-6, 63736-95-8
trichlorophosphate

A: 3764-01-0
2,4,6-trichloropyrimidine

B: 67-52-7
BARBITURIC ACID

C C-acetyl-barbituric acid: C-acetyl-barbituric acid

...Expand

: 67-52-7
BARBITURIC ACID

: 1579-40-4
1,1'-oxybis(4-methyl-benzene)

: 3764-01-0
2,4,6-trichloropyrimidine

Conditions

Conditions	Yield
With 1-methyl-pyrrolidin-2-one; anhydrous phosphorus trichloride; chlorine; trichlorophosphate

: 67-52-7
BARBITURIC ACID

: 56-06-4
2,6-diaminopyrimidin-4-ol

: 3764-01-0
2,4,6-trichloropyrimidine

Conditions

Conditions	Yield
With 2,3-Dimethylaniline; trichlorophosphate

: 616-47-7
1-methyl-1H-imidazole

: 3764-01-0
2,4,6-trichloropyrimidine

: 143-66-8
sodium tetraphenyl borate

: 1,1',1''-(pyrimidin-2,4,6-triyl)-tris-3-methylimidazolium tris(tetraphenylborate)

Conditions

Conditions	Yield
In ethyl acetate Ambient temperature;	100%

...Expand

: 1122-58-3
dmap

: 3764-01-0
2,4,6-trichloropyrimidine

: 143-66-8
sodium tetraphenyl borate

: 1,1',1''-(pyrimidin-2,4,6-triyl)-tris-4-dimethylaminopyridinium tris(tetraphenylborate)

Conditions

Conditions	Yield
In ethyl acetate Ambient temperature;	100%
In ethyl acetate	100%

...Expand

: 3764-01-0
2,4,6-trichloropyrimidine

: 2456-81-7
4-pyrrolidin-1-ylpyridine

: 1,1',1''-(pyrimidin-2,4,6-triyl)-tris-4-(pyrrolidin-1-yl)pyridinium tri-iodide

Conditions

Conditions	Yield
With sodium iodide In acetone Ambient temperature;	100%

: 3764-01-0
2,4,6-trichloropyrimidine

: 63139-21-9
4-ethylphenylboronic acid

: 2,4,6-tris-(4'-ethylphenyl)pyrimidine

Conditions

Conditions	Yield
With palladium diacetate; sodium carbonate; triphenylphosphine In 1,2-dimethoxyethane at 70℃; for 24h; Suzuki coupling reaction;	100%

: 3764-01-0
2,4,6-trichloropyrimidine

: 31230-17-8
3-methyl-5-aminopyrazole

: 851435-01-3
2,6-di-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

Conditions

Conditions	Yield
With triethylamine In ethanol at 20℃; for 24h;	100%
With N-ethyl-N,N-diisopropylamine In ethanol at 0 - 20℃;	95%
With sodium carbonate In ethanol at 20℃; for 18h;	88%

: 3764-01-0
2,4,6-trichloropyrimidine

: 696-63-9
4-Methoxybenzenethiol

: 825647-47-0
2,4-dichloro-6-[(4-methoxyphenyl)thio]pyrimidine

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In 1,2-dimethoxyethane at -15 - 20℃; for 1h;	100%
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0 - 20℃;

: 3764-01-0
2,4,6-trichloropyrimidine

: 683-60-3
sodium isopropylate

: 2-chloro-4,6-diisopropoxypyrimidine

Conditions

Conditions	Yield
In isopropyl alcohol at 0 - 20℃;	100%

: 3764-01-0
2,4,6-trichloropyrimidine

: 100-53-8
phenylmethanethiol

: 4-(benzylthio)-2,6-dichloropyrimidine

Conditions

Conditions	Yield
With potassium carbonate In 1,4-dioxane at 0 - 20℃; for 16h; Inert atmosphere;	99.5%

: 3764-01-0
2,4,6-trichloropyrimidine

: 104-94-9
4-methoxy-aniline

: 333404-66-3
2,4-dichloro-6-(4-methoxyphenylamino)pyrimidine

Conditions

Conditions	Yield
With sodium carbonate In ethanol for 1.5h; Heating;	99%
With N-ethyl-N,N-diisopropylamine at 20℃; for 1.5h;	78%
In ethanol; water Heating;	20%

: 3764-01-0
2,4,6-trichloropyrimidine

: 214610-11-4
tert-butyl 3-methyl-2-oxoindoline-1-carboxylate

: tert-butyl 3-(2,6-dichloropyrimidin-4-yl)-3-methyl-2-oxoindoline-1-carboxylate

Conditions

Conditions	Yield
With tetrabutylammomium bromide; potassium carbonate In tetrahydrofuran at 50℃; for 18h; Schlenk technique; Inert atmosphere; regioselective reaction;	99%

: 3764-01-0
2,4,6-trichloropyrimidine

: 124-41-4
sodium methylate

: 6320-15-6
6-chloro-2,4-dimethoxypyrimidine

Conditions

Conditions	Yield
In methanol at 0 - 20℃; for 3.5h;	98.4%
In methanol at 0 - 20℃; for 3h;	95%
In methanol	81%
In methanol	80%

: 3764-01-0
2,4,6-trichloropyrimidine

: 4270-27-3
6-chlorouracil

Conditions

Conditions	Yield
With sodium hydroxide In water for 3.5h; Reflux;	98%
With sodium hydroxide In water for 2h; Reflux;	98%
Stage #1: 2,4,6-trichloropyrimidine With sodium hydroxide In water for 1h; Reflux; Stage #2: With hydrogenchloride In water pH=2 - 3;	97%

: 110-91-8
morpholine

: 3764-01-0
2,4,6-trichloropyrimidine

: 88565-35-9
2,4,6-morpholinopyrimidine

Conditions

Conditions	Yield
for 6h; Heating;	98%

: 110-91-8
morpholine

: 3764-01-0
2,4,6-trichloropyrimidine

: 10244-24-3
2,4-[bis(morpholino)]-6-chloropyrimidine

Conditions

Conditions	Yield
In water; toluene at 20 - 83℃; for 3h; Concentration; Temperature;	98%
In water; toluene at 83℃; for 3h; Temperature;	98%
With triethanolamine In dichloromethane at -5 - 20℃; Temperature;	92%

: 3764-01-0
2,4,6-trichloropyrimidine

: 677-22-5
tert-butylmagnesium chloride

: 1037535-38-8
4-(tert-butyl)-2,6-dichloropyrimidine

Conditions

Conditions	Yield
With copper(l) iodide In tetrahydrofuran at 0℃; for 1.5h;	98%
Stage #1: 2,4,6-trichloropyrimidine With copper(l) iodide In tetrahydrofuran at -10℃; for 0.0833333h; Stage #2: tert-butylmagnesium chloride In tetrahydrofuran at -10 - 0℃; for 1h;	71.55%
With copper(l) iodide In tetrahydrofuran; diethyl ether at -10 - 0℃; for 1h; Inert atmosphere;	56%
copper(l) iodide In tetrahydrofuran; diethyl ether at -10 - 0℃; for 1h; Inert atmosphere;

: 3764-01-0
2,4,6-trichloropyrimidine

: 214610-11-4
tert-butyl 3-methyl-2-oxoindoline-1-carboxylate

: di-tert-butyl 3,3′-(2-chloropyrimidine-4,6-diyl)bis(3-methyl-2-oxoindoline-1-carboxylate)

Conditions

Conditions	Yield
With tetrabutylammomium bromide; potassium carbonate In 1,4-dioxane at 68℃; Schlenk technique; Inert atmosphere; regioselective reaction;	98%

: 3764-01-0
2,4,6-trichloropyrimidine

: 141-52-6
sodium ethanolate

: 2-chloro-4,6-diethoxypyrimidine

Conditions

Conditions	Yield
In ethanol at 0 - 20℃;	98%

: 110-89-4
piperidine

: 3764-01-0
2,4,6-trichloropyrimidine

: 4193-59-3
4-chloro-2,6-di(piperidin-1-yl)pyrimidine

Conditions

Conditions	Yield
In tetrahydrofuran at 50℃; for 24h;	97%
With potassium phosphate at 20℃; for 6h; Ionic liquid;	78%

: 3764-01-0
2,4,6-trichloropyrimidine

: 75-04-7
ethylamine

A: 2,4-N,N'-diethylaminopyrimidine

B: 10397-14-5
6-chloro-N2,N4-diethyl-pyrimidine-2,4-diamine

Conditions

Conditions	Yield
In ethanol; water	A 97% B 33%

...Expand

: 3764-01-0
2,4,6-trichloropyrimidine

: 461-82-5
4-(trifluoromethoxy)aniline

: 881194-90-7
(2,6-dichloro-pyrimidin-4-yl)-(4-trifluoromethoxy-phenyl)-amine

Conditions

Conditions	Yield
With potassium carbonate In ethanol at 20℃; for 15h;	96%

: 3764-01-0
2,4,6-trichloropyrimidine

: 1098142-41-6
C24H37N3O7

: 1098142-47-2
C28H37Cl2N5O7

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran; water at 20℃; for 2h;	96%

: 3764-01-0
2,4,6-trichloropyrimidine

: 28276-08-6
1,1-dimethylpropylmagnesium chloride

: 1092838-08-8
4-tert-amyl-2,6-dichloropyrimidine

Conditions

Conditions	Yield
With copper(l) iodide In tetrahydrofuran at 0℃; for 0.3h;	95%

: 3764-01-0
2,4,6-trichloropyrimidine

: 621-95-4
4,4'-diaminodihydrostilbene

: N,N'-bis(2-amino-6-chloro-4-pyrimidyl)-4,4'-ethylenedianiline

Conditions

Conditions	Yield
With triethylamine In butan-1-ol for 12h; Reflux;	95%

: 6165-68-0
thiophene boronic acid

: 3764-01-0
2,4,6-trichloropyrimidine

: 115407-56-2
2,4-dichloro-6-(thiophen-2-yl)pyrimidine

Conditions

Conditions	Yield
In 1,2-dimethoxyethane; water at 90℃; for 1.5h;	95%
With bis-triphenylphosphine-palladium(II) chloride In 1,2-dimethoxyethane; water at 90℃; for 1.5h;	23.6%

: 1122-58-3
dmap

: 3764-01-0
2,4,6-trichloropyrimidine

: 1,1',1''-(pyrimidin-2,4,6-triyl)-tris-4-dimethylaminopyridinium tri-iodide

Conditions

Conditions	Yield
With sodium iodide In acetone Ambient temperature;	94%

: 3764-01-0
2,4,6-trichloropyrimidine

: 63139-21-9
4-ethylphenylboronic acid

: 878750-62-0
2,4-dichloro-6-(4'-ethylphenyl)pyrimidine

Conditions

Conditions	Yield
With palladium diacetate; sodium carbonate; triphenylphosphine In 1,2-dimethoxyethane at 70℃; for 24h; Suzuki coupling reaction;	94%

: 3764-01-0
2,4,6-trichloropyrimidine

: 513-44-0
2-methylpropanethiol-1

: 1067678-86-7
2,4,6-tris-isobutylsulfanyl-pyrimidine

Conditions

Conditions	Yield
Stage #1: 2-methylpropanethiol-1 With sodium hydride In tetrahydrofuran; mineral oil for 0.333333h; Inert atmosphere; Stage #2: 2,4,6-trichloropyrimidine In tetrahydrofuran; mineral oil at 20℃; for 16h; Inert atmosphere;	94%

: 3764-01-0
2,4,6-trichloropyrimidine

: 3757-88-8
tributylstannylethynylbenzene

: 2,4-dichloro-6-(2-phenylethynyl)pyrimidine

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; triphenyl-arsane In toluene at 80℃; for 6h; Inert atmosphere;	94%
With bis-triphenylphosphine-palladium(II) chloride; triphenyl-arsane In toluene at 80℃; for 6h;	94%
With bis-triphenylphosphine-palladium(II) chloride; triphenyl-arsane In toluene at 80℃; for 6h;	94%
With bis-triphenylphosphine-palladium(II) chloride; triphenyl-arsane In toluene at 80℃; for 6h; Inert atmosphere;	94%

2,4,6-Trichloropyrimidine Specification

The 2,4,6-Trichloropyrimidine, with the CAS registry number 3764-01-0 and EINECS registry number 223-183-0, belongs to the product categories: Pyridines, Pyrimidines, Purines and Pteredines; Organics; Pharmacetical; Pyridine; Pyrimidine; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrimidines; Pyrimidines Heterocyclic Building Blocks. It is a kind of clear colorless to yellowish liquid after melting, and the molecular formula of the chemical is C₄HCl₃N₂.

The characteristics of 2,4,6-Trichloropyrimidine are as followings: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 18.26; (6)ACD/BCF (pH 7.4): 18.26; (7)ACD/KOC (pH 5.5): 278.37; (8)ACD/KOC (pH 7.4): 278.37; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 37.12 cm³; (15)Molar Volume: 111.7 cm³; (16)Polarizability: 14.71×10^-24cm³; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.641 g/cm³; (19)Flash Point: 102.5 °C; (20)Enthalpy of Vaporization: 43.07 kJ/mol; (21)Boiling Point: 212.7 °C at 760 mmHg; (22)Vapour Pressure: 0.248 mmHg at 25°C.

Uses of 2,4,6-Trichloropyrimidine: It can react with methanol; sodium salt to produce 4-chloro-2,6-dimethoxy-pyrimidine. This reaction will need reagent methanol, and the yield is about 80%.

You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed, and irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1c(nc(nc1Cl)Cl)Cl
(2)InChI: InChI=1/C4HCl3N2/c5-2-1-3(6)9-4(7)8-2/h1H
(3)InChIKey: DPVIABCMTHHTGB-UHFFFAOYAK

Product Name

2,4,6-Trichloropyrimidine

Synthetic route

2,4,6-Trichloropyrimidine Specification

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