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CAS No.: | 5451-40-1 |
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Name: | 2,6-Dichloropurine |
Article Data: | 33 |
Molecular Structure: | |
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 |
Conditions | Yield |
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With pyridine; trichlorophosphate at 180℃; under 150.015 - 900.09 Torr; for 3h; Neat (no solvent); | 88% |
Conditions | Yield |
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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% |
2-Amino-6-chloropurin
2,6 dichloropurine
Conditions | Yield |
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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% |
2,4-Dioxo-1,2,3,4-tetrahydropyrrolo<3,2-d>pyrimidine
2,6 dichloropurine
Conditions | Yield |
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With 1,8-diazabicyclo[5.4.0]undec-7-ene; trichlorophosphate at 105℃; for 6h; Reagent/catalyst; Inert atmosphere; Reflux; | 47% |
Conditions | Yield |
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With triethylamine; trichlorophosphate for 3h; Heating; | 39.9% |
2-amino-6-chloropurine
2,6 dichloropurine
Conditions | Yield |
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With hydrogenchloride; zinc(II) chloride; sodium nitrite In water at -5℃; for 0.5h; | 39% |
Conditions | Yield |
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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 |
Conditions | Yield |
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With thionyl chloride; acetic anhydride; lithium chloride In N,N-dimethyl acetamide |
2,6 dichloropurine
Conditions | Yield |
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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 |
2-acetamido-9-acetyl-6-chloropurine
2,6 dichloropurine
Conditions | Yield |
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Multi-step reaction with 2 steps 1: water; sodium hydroxide 2: hydrogenchloride; copper(l) chloride; sodium nitrite / water / 0 - 5 °C View Scheme |
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%.
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%.
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