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5-Amino-4,6-dichloropyrimidine

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Name

5-Amino-4,6-dichloropyrimidine

EINECS 226-503-7
CAS No. 5413-85-4 Density 1.606 g/cm3
PSA 51.80000 LogP 1.94680
Solubility slightly soluble in water Melting Point 145-148 °C(lit.)
Formula C4H3Cl2N3 Boiling Point 267.1 °C at 760 mmHg
Molecular Weight 163.994 Flash Point 115.3 °C
Transport Information N/A Appearance Yellowish-brown crystals or powder
Safety 26-36-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5413-85-4 (5-Amino-4,6-dichloropyrimidine) Hazard Symbols IrritantXi
Synonyms

5-Pyrimidinamine, 4,6-dichloro-;4,6-Dichloro-5-aminopyrimidine;Pyrimidine, 5-amino-4,6-dichloro-;4,6-dichloropyrimidin-5-amine;4,6-Dichloropyrimidin-5-ylamine;

Article Data 31

5-Amino-4,6-dichloropyrimidine Synthetic route

4316-93-2

4,6-dichloro-5-nitropyrimidine

5413-85-4

5-amino-4,6-dichloropyridimine

Conditions
ConditionsYield
With tin(ll) chloride In ethanol for 1h; Heating;99%
With tin(ll) chloride In ethanol for 0.333333h; Heating;91%
With palladium 10% on activated carbon; hydrogen In ethyl acetate at 20℃; for 4h;86%

7-((3aR,4R,6R,6aR)-6-(((tert-butyldimethylsilyl)oxy)methyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5413-85-4

5-amino-4,6-dichloropyridimine

Conditions
ConditionsYield
64%
69340-97-2

5-amino-4,6-dihydroxy-pyrimidine

5413-85-4

5-amino-4,6-dichloropyridimine

Conditions
ConditionsYield
With tetraethylammonium chloride; trichlorophosphate at 80 - 110℃; for 3h;54.1%
With trichlorophosphate at 110℃; for 48h; Inert atmosphere; Sealed tube;44 mg
With trichlorophosphate at 110℃; for 48h; Sealed tube; Inert atmosphere;44 mg
64-18-6

formic acid

5413-85-4

5-amino-4,6-dichloropyridimine

123240-66-4

4,6-dichloro-5-formamidopyrimidine

Conditions
ConditionsYield
With acetic anhydride at 20℃; for 2h;100%
With acetic anhydride at 0 - 20℃; for 2.5h;100%
With acetic acid at 0 - 30℃; Autoclave; Large scale;89.7%
5413-85-4

5-amino-4,6-dichloropyridimine

68-12-2, 33513-42-7

N,N-dimethyl-formamide

N-(2-amino-4,6-dichloropyrimidin-5-yl)-N',N'-dimethylimidoformamide

Conditions
ConditionsYield
With thionyl chloride at 0 - 20℃; for 1h; Inert atmosphere;100%
5413-85-4

5-amino-4,6-dichloropyridimine

138405-07-9

(+/-)-(1β,3α,4β)-3,4-bis(hydroxymethyl)-1-cyclobutylamine

138405-08-0

(+/-)-5-amino-4-chloro-6-<<(1β,3α,4β)-3,4-bis(hydroxymethyl)cyclopentan-1-yl>amino>pyrimidine

Conditions
ConditionsYield
With triethylamine In butan-1-ol for 48h; Heating;99%
With triethylamine In butan-1-ol at 100℃; for 48h;48%
5413-85-4

5-amino-4,6-dichloropyridimine

57260-71-6

1-t-Butoxycarbonylpiperazine

853679-43-3

tert-butyl 4-(5-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate

Conditions
ConditionsYield
In triethylamine; toluene for 12h; Heating / reflux;99%
5413-85-4

5-amino-4,6-dichloropyridimine

63-74-1

sulfanilamide

4-((5-amino-6-chloropyrimidin-4-yl)amino)benzenesulfonamide

Conditions
ConditionsYield
With toluene-4-sulfonic acid In 1,4-dioxane; water Reflux;99%
5413-85-4

5-amino-4,6-dichloropyridimine

88474-32-2

4-chloro-5-cyano-1,2,3-triazole

Conditions
ConditionsYield
With hydrogenchloride; sodium nitrite In water 1.)-5 deg C, 1.5 h 2.)20 deg C, 1.5 h;98%
5413-85-4

5-amino-4,6-dichloropyridimine

106-47-8

4-chloro-aniline

103505-49-3

6-chloro-N4-(4-chlorophenyl)-4,5-pyrimidinediamine

Conditions
ConditionsYield
With hydrogenchloride In ethanol; water at 20 - 82℃; for 79h;98%
With hydrogenchloride In ethanol; water at 20 - 82℃; for 79h;98%
With hydrogenchloride In ethanol; water at 20 - 82℃; for 79h;98%

5-Amino-4,6-dichloropyrimidine Specification

The IUPAC name of 5-Amino-4,6-dichloropyrimidine is 4,6-dichloropyrimidin-5-amine. With the CAS registry number 5413-85-4 and EINECS 226-503-7, it is also named as 5-Pyrimidinamine, 4,6-dichloro-. The product's categories are Pyridines, Pyrimidines, Purines and Pteredines; Pyrimidines; Heterocyclic Compounds; Bases & Related Reagents; Heterocycles; Nucleotides; Building Blocks; Heterocyclic Building Blocks. It is yellowish-brown crystals or powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container, kept away from direct sunshine and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): 0.76; (5)ACD/BCF (pH 5.5): 2.23; (6)ACD/BCF (pH 7.4): 2.23; (7)ACD/KOC (pH 5.5): 61.73; (8)ACD/KOC (pH 7.4): 61.73; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 36.46 cm3; (15)Molar Volume: 102 cm3; (16)Polarizability: 14.45×10-24 cm3; (17)Surface Tension: 68 dyne/cm; (18)Density: 1.606 g/cm3; (19)Flash Point: 115.3 °C; (20)Enthalpy of Vaporization: 50.51 kJ/mol; (21)Boiling Point: 267.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00832 mmHg at 25°C.

Preparation of 5-Amino-4,6-dichloropyrimidine: It can be obtained by 4,6-dichloro-5-nitro-pyrimidine. This reaction needs reagent SnCl2*2H2O and solvent ethanol by heating. The reaction time is 20 min. The yield is 91%.

5-Amino-4,6-dichloropyrimidine can be obtained by 4,6-dichloro-5-nitro-pyrimidine

Uses of 5-Amino-4,6-dichloropyrimidine: It is an intermediate in the production of many biological inhibitors. And it can react with furfurylamine to get 6-chloro-N4-furfuryl-pyrimidine-4,5-diyldiamine. This reaction needs reagent triethylamine and solvent butan-1-ol at ambient temperature. The reaction time is 2 hours. The yield is 78%.

5-Amino-4,6-dichloropyrimidine can react with furfurylamine to get 6-chloro-N4-furfuryl-pyrimidine-4,5-diyldiamine

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. So people should avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure. 
1. SMILES:Clc1ncnc(Cl)c1N
2. InChI:InChI=1/C4H3Cl2N3/c5-3-2(7)4(6)9-1-8-3/h1H,7H2
3. InChIKey:NIGDWBHWHVHOAD-UHFFFAOYAN

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