CAS No.5451-40-1,2,6-Dichloropurine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5451-40-1
Name:	2,6-Dichloropurine
Article Data:	33

Formula:	C₅H₂Cl₂N₄
Molecular Weight:	189.004
Synonyms:	Purine, 2,6-dichloro-;2,6-Dichloro-1H-purine;2,6-Dichloro purine 98%;2,6-Dichloropurine 99%;Purine, 2,6-dichloro- (VAN) (8CI);2,6-dichloro-5H-purine;1H-Purine, 2,6-dichloro-;2,6-dichloro-9H-purine;9H-purine, 2,6-dichloro-;1H-Purine, 2,6-dichloro- (9CI);
EINECS:	226-681-6
Density:	1.792 g/cm³
Melting Point:	184-186 °C
Boiling Point:	405.4 °C at 760 mmHg
Flash Point:	231.3 °C
Solubility:	soluble in water
Appearance:	white to light yellow crystal powder
Hazard Symbols:	Xn,Xi
Risk Codes:	36/37/38-22
Safety:	22-24/25-37/39-26-36
PSA:	54.46000
LogP:	1.65970

Synthetic route

: 69-89-6
2,6-dihydroxypurine

: 5451-40-1
2,6 dichloropurine

Conditions

Conditions	Yield
With pyridine; trichlorophosphate at 180℃; under 150.015 - 900.09 Torr; for 3h; Neat (no solvent);	88%

: 69-89-6
xanthine

: 5451-40-1
2,6 dichloropurine

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene; trichlorophosphate for 16h; Reflux;	62%
With pyrophosphoryl chloride sealed tube, 1) 175 deg C, 7h 2) 150 deg C, 13h;	42%
With pyrophosphoryl chloride 1) 175 deg C, 7 h, 2) 150 deg C, 13 h;	42%

: 10310-21-1
2-Amino-6-chloropurin

: 5451-40-1
2,6 dichloropurine

Conditions

Conditions	Yield
With hydrogenchloride; zinc(II) chloride; sodium nitrite In water at -5 - 5℃; for 1h;	54%
Stage #1: 2-Amino-6-chloropurin With hydrogenchloride; zinc(II) chloride at 10℃; Stage #2: With sodium nitrite at -5 - 0℃; for 0.5h;	47%
With hydrogenchloride; copper(l) chloride; sodium nitrite In water at 0 - 5℃;	16.4%

: 65996-50-1
2,4-Dioxo-1,2,3,4-tetrahydropyrrolo<3,2-d>pyrimidine

: 5451-40-1
2,6 dichloropurine

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene; trichlorophosphate at 105℃; for 6h; Reagent/catalyst; Inert atmosphere; Reflux;	47%

: 5167-14-6
hypoxanthine 1-N-oxide

: 5451-40-1
2,6 dichloropurine

Conditions

Conditions	Yield
With triethylamine; trichlorophosphate for 3h; Heating;	39.9%

: 10310-21-1
2-amino-6-chloropurine

: 5451-40-1
2,6 dichloropurine

Conditions

Conditions	Yield
With hydrogenchloride; zinc(II) chloride; sodium nitrite In water at -5℃; for 0.5h;	39%

: 700-02-7
adenine 1-oxide

: 5451-40-1
2,6 dichloropurine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 66.2 percent / aq. NaNO2, aq. HOAc / H2O / 2 h / 70 - 80 °C 2: 39.9 percent / POCl3, NEt3 / 3 h / Heating View Scheme

: 10310-21-1
2-Amino-6-chloropurin

: 110-46-3
isopentyl nitrite

: 5451-40-1
2,6 dichloropurine

Conditions

Conditions	Yield
With thionyl chloride; acetic anhydride; lithium chloride In N,N-dimethyl acetamide

: N2,9-diacetylguanine

: 5451-40-1
2,6 dichloropurine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: trichlorophosphate 2: water; sodium hydroxide 3: hydrogenchloride; copper(l) chloride; sodium nitrite / water / 0 - 5 °C View Scheme

: 97965-44-1
2-acetamido-9-acetyl-6-chloropurine

: 5451-40-1
2,6 dichloropurine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: water; sodium hydroxide 2: hydrogenchloride; copper(l) chloride; sodium nitrite / water / 0 - 5 °C View Scheme

Raw Materials

97965-44-1

73-40-5

110-46-3

65996-50-1

700-02-7

69-89-6

Downstream Products

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Specification

The 2,6-Dichloropurine, with the CAS registry number 5451-40-1, is also known as 1H-Purine, 2,6-dichloro- (9CI). It belongs to the product categories of Fine Chemical & Intermediates; Starting Raw Materials & Intermediates; Heterocycles; Pyridines, Pyrimidines, Purines and Pteredines; Halides; Purine; Nucleotides and Nucleosides; Purines; Biochemistry; Nucleobases and their analogs; Nucleosides, Nucleotides & Related Reagents; Nucleic acids; Bases & Related Reagents; Nucleotides; Fused Ring Systems; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; PurinesHeterocyclic Building Blocks. Its EINECS registry number is 226-681-6. This chemical's molecular formula is C₅H₂Cl₂N₄ and molecular weight is 189.00218. Its IUPAC name is called 2,6-dichloro-7H-purine. What's more, this chemical can be used as anti-tumor, antiviral drug intermediates.

Physical properties of 2,6-Dichloropurine: (1)ACD/LogP: 1.10; (2)ACD/LogD (pH 5.5): 1.09; (3)ACD/LogD (pH 7.4): 0.62; (4)ACD/BCF (pH 5.5): 3.92; (5)ACD/BCF (pH 7.4): 1.35; (6)ACD/KOC (pH 5.5): 91.91; (7)ACD/KOC (pH 7.4): 31.62; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)Index of Refraction: 1.741; (11)Molar Refractivity: 42.59 cm³; (12)Molar Volume: 105.4 cm³; (13)Surface Tension: 90.1 dyne/cm; (14)Density: 1.792 g/cm³; (15)Flash Point: 231.3 °C; (16)Enthalpy of Vaporization: 63.14 kJ/mol; (17)Boiling Point: 405.4 °C at 760 mmHg; (18)Vapour Pressure: 2.07E-06 mmHg at 25°C.

Preparation of 2,6-Dichloropurine: this chemical can be prepared by 3,7(9)-dihydro-purine-2,6-dithione. This reaction will need reagents HCl gas, Cl2 and solvent methanol. The reaction need the temperature of 0 - 13 °C. The yield is about 64%.

2,6-Dichloropurine can be prepared by 3,7(9)-dihydro-purine-2,6-dithione

Uses of 2,6-Dichloropurine: it can be used to produce 2,6-dichloro-9-tetrahydrofuran-2-yl-9H-purine with 2,3-dihydro-furan. The yield is about 88%.

2,6-Dichloropurine can be used to produce 2,6-dichloro-9-tetrahydrofuran-2-yl-9H-purine with 2,3-dihydro-furan

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=NC2=C(N1)C(=NC(=N2)Cl)Cl
(2)InChI: InChI=1S/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
(3)InChIKey: RMFWVOLULURGJI-UHFFFAOYSA-N