CAS No.4316-98-7,4-AMINO-6-CHLOROPYRIMIDIN-5-YLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4316-98-7
Name:	4-AMINO-6-CHLOROPYRIMIDIN-5-YLAMINE
Article Data:	25
Cas Database

Formula:	C₄H₅ClN₄
Molecular Weight:	144.564
Synonyms:	Pyrimidine,4,5-diamino-6-chloro- (6CI,7CI,8CI);4,5-Diamino-6-chloropyrimidine;4-Chloropyrimidine-5,6-diamine;5,6-Diamino-4-chloropyrimidine;NSC 36907;
EINECS:	224-341-1
Density:	1.565 g/cm³
Melting Point:	252 °C (decomp)
Boiling Point:	336.7 °C at 760 mmHg
Flash Point:	157.4 °C
Risk Codes:	36/37/38
Safety:	26-36
PSA:	77.82000
LogP:	1.45680

Synthetic route

: 5413-85-4
5-amino-4,6-dichloropyridimine

: 4316-98-7
6-chloro-4,5-diaminopyrimidine

Conditions

Conditions	Yield
With ammonia In water at 100℃; for 46h;	97%
With ammonia at 100℃; for 46h;	97%
With ammonia In water at 100℃; for 46h;	97%

: 4316-94-3
6-chloro-5-nitropyrimidin-4-amine

: 4316-98-7
6-chloro-4,5-diaminopyrimidine

Conditions

Conditions	Yield
With tin(ll) chloride In ethanol for 1h; Heating;	67%
With methanol; nickel Hydrogenation;
With water; zinc
With water; iron; hydrogenchloride In ethanol at 85℃; Industry scale;

: 1672-50-0
4,5-diamino-6-hydroxypyrimidine

: 4316-98-7
6-chloro-4,5-diaminopyrimidine

Conditions

Conditions	Yield
With N,N-dimethyl-aniline; trichlorophosphate for 4h; Heating / reflux;	15%

: 33441-77-9
9-(1-Ethoxyethyl-1)-6-chloropurine

A: 4316-98-7
6-chloro-4,5-diaminopyrimidine

B: 9-(1-ethoxyethyl)hypoxanthine

Conditions

Conditions	Yield
With sodium hydroxide In water at 50.1℃; Product distribution; Rate constant; other temperatures; alkalyne hydrolysis of 6-substituted 9-(1-ethoxyethyl)purines, effect of substituent, formation of intermediates;

: (2R,3S,4S)-5-[(Z)-5-Amino-6-chloro-pyrimidin-4-ylimino]-pentane-1,2,3,4-tetraol

A: 4316-98-7
6-chloro-4,5-diaminopyrimidine

B: 50-69-1
D-ribose

Conditions

Conditions	Yield
With sodium hydroxide at 50.1℃; Mechanism; Rate constant; hydroxide concentration influence;

: 4316-98-7
6-chloro-4,5-diaminopyrimidine

: 655255-14-4
6-iodopyrimidine-4,5-diamine

Conditions

Conditions	Yield
With hydrogen iodide In water at 0 - 20℃; for 24.5h;	98%

: 4316-98-7
6-chloro-4,5-diaminopyrimidine

: 530-62-1
1,1'-carbonyldiimidazole

: 37527-48-3
6-chloro-7H-purin-8(9H)-one

Conditions

Conditions	Yield
In 1,4-dioxane for 0.833333h; Reflux; Inert atmosphere;	96%
In 1,4-dioxane for 48h; Heating / reflux;	86%
In 1,4-dioxane for 48h; Heating / reflux;	86%
In 1,4-dioxane for 48h; Heating / reflux;	86%
In 1,4-dioxane for 48h; Heating / reflux;

: 4316-98-7
6-chloro-4,5-diaminopyrimidine

: 65-85-0
benzoic acid

: 6-chloro-8-phenyl-9H-purine

Conditions

Conditions	Yield
With Ag/SiO2 catalyst In ethanol at 20℃; for 1h; Reagent/catalyst; Solvent; Temperature; Green chemistry;	94%
With ammonium chloride; trichlorophosphate at 100℃; for 18h;	69%
With ammonium chloride; trichlorophosphate at 100℃; for 24h;

: 64-18-6
formic acid

: 4316-98-7
6-chloro-4,5-diaminopyrimidine

: 7501-32-8
N-(5-amino-6-chloropyrimidin-4-yl)formamide

Conditions

Conditions	Yield
With acetic anhydride at 70℃; for 72h; Inert atmosphere;	94%

: 4316-98-7
6-chloro-4,5-diaminopyrimidine

: 723-62-6
9-Anthracenecarboxylic acid

: 6-chloro-8-(anthracen-9-yl)-9H-purine

Conditions

Conditions	Yield
With Ag/SiO2 catalyst In ethanol at 20℃; for 1h; Green chemistry;	94%

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Specification

The 6-Chloropyrimidine-4,5-diamine is an organic compound with the formula C₄H₅ClN₄. The IUPAC name of this chemical is 6-chloropyrimidine-4,5-diamine. With the CAS registry number 4316-98-7, it is also named as 4,5-pyrimidinediamine, 6-chloro-. The product's category is Pyrimidine.

Physical properties about 6-Chloropyrimidine-4,5-diamine are: (1)ACD/LogP: 0.33; (2)ACD/LogD (pH 5.5): 0.33; (3)ACD/LogD (pH 7.4): 0.33; (4)ACD/BCF (pH 5.5): 1.05; (5)ACD/BCF (pH 7.4): 1.05; (6)ACD/KOC (pH 5.5): 36.01; (7)ACD/KOC (pH 7.4): 36.04; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 32.26 Å²; (12)Index of Refraction: 1.702; (13)Molar Refractivity: 35.8 cm³; (14)Molar Volume: 92.3 cm³; (15)Polarizability: 14.19×10^-24cm³; (16)Surface Tension: 88.1 dyne/cm; (17)Density: 1.564 g/cm³; (18)Flash Point: 157.4 °C; (19)Enthalpy of Vaporization: 57.99 kJ/mol; (20)Boiling Point: 336.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00011 mmHg at 25°C.

Preparation: this chemical can be prepared by 6-chloro-5-nitro-pyrimidin-4-ylamine. This reaction will need SnCl₂*2H₂O and solvent ethanol. The reaction time is 1 hour by heating. The yield is about 67%.

Uses of 6-Chloropyrimidine-4,5-diamine: it can be used to produce 5-oxa-2,4,11-triaza-dibenzo[a,d]cyclohepten-1-ylamine at temperature of 110 - 120 °C. It will need reagent NaH and solvent dimethylformamide with reaction time of 4 hours. The yield is about 78%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ncnc(N)c1N
(2)InChI: InChI=1/C4H5ClN4/c5-3-2(6)4(7)9-1-8-3/h1H,6H2,(H2,7,8,9)
(3)InChIKey: VNSFICAUILKARD-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C4H5ClN4/c5-3-2(6)4(7)9-1-8-3/h1H,6H2,(H2,7,8,9)
(5)Std. InChIKey: VNSFICAUILKARD-UHFFFAOYSA-N