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Adenosine, 8-chloro-

  • Name Adenosine, 8-chloro-
  • EINECSN/A
  • CAS No. 34408-14-5
  • Density2.19 g/cm3
  • PSA139.54000
  • LogP-0.74540
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC10H12ClN5O4
  • Boiling Point707.4 °C at 760 mmHg
  • Molecular Weight301.689
  • Flash Point381.6 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 34408-14-5 (8-CHLOROADENOSINE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data9

Adenosine, 8-chloro- Synthetic route

58-61-7

adenosine

34408-14-5

8-chloroadenosine

Conditions
ConditionsYield
With N-chloro-succinimide; acetic acid In N,N-dimethyl-formamide at 20℃; for 48h; Concentration; Reagent/catalyst;52%
With hydrogenchloride; 3-chloro-benzenecarboperoxoic acid In N,N-dimethyl acetamide for 3.5h; Ambient temperature;50%
With hydrogenchloride; 3-chloro-benzenecarboperoxoic acid In N,N-dimethyl acetamide at 0 - 25℃; for 2.5h;39%
3001-45-4

8-mercaptoadenosine

34408-14-5

8-chloroadenosine

Conditions
ConditionsYield
With N-chloro-succinimide In methanol at 20℃; for 3h;52%
4294-16-0

N6-Benzyladenosine

A

34408-14-5

8-chloroadenosine

B

1427459-38-8

6-benzylamino-8-chloro-9-(β-D-ribofuranosyl)purine

Conditions
ConditionsYield
With N-chloro-succinimide In N,N-dimethyl-formamide at 45℃; for 18h;A n/a
B 20%

N-chloro-succinamide

58-61-7

adenosine

34408-14-5

8-chloroadenosine

Conditions
ConditionsYield
With acetic acid In methanol; N,N-dimethyl-formamide0.8 g (65%)
2946-39-6

8-bromoadenosine

34408-14-5

8-chloroadenosine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: thiourea / ethanol / 1 h / Reflux
2: N-chloro-succinimide / methanol / 3 h / 20 °C
View Scheme
34408-14-5

8-chloroadenosine

74-89-5

methylamine

13389-13-4

8-Methylaminoadenosine

Conditions
ConditionsYield
With triethylamine In N,N-dimethyl-formamide at 0 - 20℃; for 18.5h;93%
With triethylamine at 20℃; for 20h;93%
34408-14-5

8-chloroadenosine

108-24-7

acetic anhydride

64344-20-3

8-chloro-2',3',5'-tri-O-acetyladenosine

Conditions
ConditionsYield
With pyridine for 16h; Ambient temperature;88%
34408-14-5

8-chloroadenosine

67-64-1

acetone

2’,3’-O-isopropylidene-8-chloroadenosine

Conditions
ConditionsYield
With perchloric acid at 20℃; for 0.5h;79%
34408-14-5

8-chloroadenosine

701-99-5

Phenoxyacetyl chloride

508179-29-1

N6-phenoxyacetyl-8-chloroadenosine

Conditions
ConditionsYield
With pyridine; 1,2,4-Triazole; chloro-trimethyl-silane In acetonitrile at 25 - 55℃; for 8h;71%
926308-62-5

phenyl-1-yl-L-glycine benzyl ester phosphorochloridate

34408-14-5

8-chloroadenosine

benzyl 2-(((((2R,3S,4R,5R)-5-(6-amino-8-chloro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)amino)acetate

Conditions
ConditionsYield
With tert-butylmagnesium chloride In tetrahydrofuran at 20℃;28%

Adenosine, 8-chloro- Specification

The Adenosine, 8-chloro-, with the CAS registry number of 34408-14-5, is also known as 8-Chloroadenosine. This chemical's molecular formula is C10H12ClN5O4 and molecular weight is 301.69. What's more, its IUPAC name is 2-(6-Amino-8-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3, 4-diol. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Adenosine, 8-chloro- are: (1)ACD/LogP: -0.46; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 13.31; (6)ACD/KOC (pH 7.4): 13.33; (7)#H bond acceptors: 9; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 83.76 Å2; (11)Index of Refraction: 1.912; (12)Molar Refractivity: 64.55 cm3; (13)Molar Volume: 137.4 cm3; (14)Surface Tension: 106.5 dyne/cm; (15)Density: 2.19 g/cm3; (16)Flash Point: 381.6 °C; (17)Enthalpy of Vaporization: 108.65 kJ/mol; (18)Boiling Point: 707.4 °C at 760 mmHg; (19)Vapour Pressure: 5.28E-21 mmHg at 25 °C.

Preparation: this chemical is prepared by Adenosine at ambient temperature. This reaction needs reagents HCl and m-Chloroperbenzoic acid. Meanwhile, it needs solvent N, N-Dimethyl-acetamide. The reaction time is 3.5 hours. The yield is about 50 %.

Uses: it is used to produce other chemicals. For example, it is used to produce N6-phenoxyacetyl-8-chloroadenosine. This reaction needs reagents Pyridine; Chlorotrimethylsilane; 1, 2, 4-Triazole. Meanwhile, it needs solvent Acetonitrile. The reaction time is 8 hours with reaction temperature of 25-55 °C. The yield is about 71 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2nc1c(ncnc1n2[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)CO)N
(2) InChI: InChI=1/C10H12ClN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,9-/m1/s1
(3) InChIKey: MHDPPLULTMGBSI-UUOKFMHZBR

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