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Name	2,6-Dichloropurine riboside	EINECS	1308068-626-2
CAS No.	13276-52-3	Density	2.14 g/cm³
PSA	113.52000	LogP	-0.25540
Solubility	N/A	Melting Point	>190°C (dec)
Formula	C₁₀H₁₀Cl₂N₄O₄	Boiling Point	589.3 °C at 760 mmHg
Molecular Weight	321.12	Flash Point	310.2 °C
Transport Information	N/A	Appearance	white to off-white solid
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	2,6-Dichloropurine riboside; (2R,3R,4S,5R)-2-(2,6-Dichloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol;	Article Data	8

2,6-Dichloropurine riboside Synthetic route

: 3056-18-6
(2R,3R,4R,5R)-4-(acetyloxy)-2-[(acetyloxy)methyl]-5-(2,6-dichloro-9H-purin-9-yl)tetrahydro-3-furanyl acetate

: 13276-52-3
2,6-dichloropurine riboside

Conditions

Conditions	Yield
With acetyl chloride In methanol at 0 - 10℃; for 1.5h; Inert atmosphere;	85%
With ammonia In methanol at 100℃; for 24h; Autoclave;
With methanol; sodium methylate at 25℃; for 5h; Temperature;	300 g

: 266360-68-3
6-Chloro-2-nitro-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-9H-purine

: 13276-52-3
2,6-dichloropurine riboside

Conditions

Conditions	Yield
With hydrogenchloride In ethanol at 20℃; for 10h;	82%

: 15373-23-6
(2R,3R,4R,5R)-2-((benzoyloxy)methyl)-5-(2,6-dichloro-9H-purin-9-yl)tetrahydrofuran-3,4-diyl dibenzoate

: 13276-52-3
2,6-dichloropurine riboside

Conditions

Conditions	Yield
With acetyl chloride In methanol at 0 - 10℃; for 4h; Inert atmosphere;	82%

: 5451-40-1
2,6 dichloropurine

: 58-96-8
uridine

: 13276-52-3
2,6-dichloropurine riboside

Conditions

Conditions	Yield
With potassium phosphate; Geobacillus thermoglucosidasius purine nucleoside phosphorylase; Geobacillus thermoglucosidasius pyrimidine nucleoside phosphorylase In water at 65℃; for 0.5h; pH=7; Reagent/catalyst; Enzymatic reaction;

: 5451-40-1
2,6 dichloropurine

: (3R,45,5R)-5-(((4-methoxyphenyl)diphenylmethoxy)methyl)tetrahydrofuran-2,3,4-triol

: 13276-52-3
2,6-dichloropurine riboside

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 0.25 h / 20 °C / Inert atmosphere 1.2: 12 h / 0 - 20 °C / Inert atmosphere 2.1: hydrogenchloride / water; acetonitrile / 0.25 h / 60 °C / pH Ca. 1 / Inert atmosphere View Scheme

: C30H26Cl2N4O5

: 13276-52-3
2,6-dichloropurine riboside

Conditions

Conditions	Yield
With hydrogenchloride In water; acetonitrile at 60℃; for 0.25h; pH=Ca. 1; Inert atmosphere;	94 mg

: 13035-61-5
1,2,3,5-tetraacetylribose

: 13276-52-3
2,6-dichloropurine riboside

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tin(IV) chloride / 0.25 h / 90 - 120 °C 2: ammonia / methanol / 24 h / 100 °C / Autoclave View Scheme
Multi-step reaction with 2 steps 1: dmap / toluene / 2 h / 100 °C 2: sodium methylate; methanol / 5 h / 25 °C View Scheme

: 5451-40-1
2,6 dichloropurine

: 13276-52-3
2,6-dichloropurine riboside

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tin(IV) chloride / 0.25 h / 90 - 120 °C 2: ammonia / methanol / 24 h / 100 °C / Autoclave View Scheme

: 5451-40-1
2,6 dichloropurine

: 58-96-8
uridine

A: 66-22-8
uracil

B: 13276-52-3
2,6-dichloropurine riboside

Conditions

Conditions	Yield
With potassium phosphate at 40℃; for 6h; pH=7.5; Equilibrium constant; Enzymatic reaction;	A n/a B 34 mg

: 5451-40-1
2,6-dichloro-7H-purine

: 13276-52-3
2,6-dichloropurine riboside

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dmap / toluene / 2 h / 100 °C 2: sodium methylate; methanol / 5 h / 25 °C View Scheme

2,6-Dichloropurine riboside Specification

The 2,6-Dichloropurine riboside, with CAS registry number 13276-52-3, belongs to the following product categories: (1)Miscellaneous Biochemicals; (2)API intermediates; (3)Bases & Related Reagents; (4)Nucleotides. It has the systematic name of 2,6-dichloro-9-pentofuranosyl-9H-purine. This chemical is a kind of white to off-white solid. And the chemical formula of this chemical is C₁₀H₁₀Cl₂N₄O₄.

Physical properties of 2,6-Dichloropurine riboside: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): 0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.72; (8)ACD/KOC (pH 7.4): 34.72; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 80.52 Å²; (13)Index of Refraction: 1.854; (14)Molar Refractivity: 67.24 cm³; (15)Molar Volume: 150 cm³; (16)Polarizability: 26.65×10^-24cm³; (17)Surface Tension: 91 dyne/cm; (18)Density: 2.14 g/cm³; (19)Flash Point: 310.2 °C; (20)Enthalpy of Vaporization: 92.5 kJ/mol; (21)Boiling Point: 589.3 °C at 760 mmHg; (22)Vapour Pressure: 9.86E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3nc1c(ncn1C2OC(C(O)C2O)CO)c(Cl)n3
(2)InChI: InChI=1/C10H10Cl2N4O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2
(3)InChIKey: HJXWZGVMHDPCRS-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H10Cl2N4O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2
(5)Std. InChIKey: HJXWZGVMHDPCRS-UHFFFAOYSA-N

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