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5'-O-toluenesulphonyl-N6-benzoyladenosine
5'-tosyladenosine
Conditions | Yield |
---|---|
With ammonia In methanol Ambient temperature; | 720 mg |
With ammonium hydroxide In methanol |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: pyridine 2: aq. NH3 / methanol View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: pyridine 2: aq. NH3 / methanol View Scheme | |
Multi-step reaction with 2 steps 1: pyridine / Ambient temperature 2: 720 mg / ammonia / methanol / Ambient temperature View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: pyridine / Ambient temperature 2: 720 mg / ammonia / methanol / Ambient temperature View Scheme |
5'-tosyladenosine
Conditions | Yield |
---|---|
In ethanol for 3h; Heating; | 96% |
2-trimethylsilylethanethiol
5'-tosyladenosine
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 15h; | 96% |
5'-tosyladenosine
8-bromo-5'-O-(p-tolylsulfonyl)adenosine
Conditions | Yield |
---|---|
With CH3COONa buffer; bromine In methanol for 0.5h; Ambient temperature; | 89% |
N-(2-cyanoethyl)-N-methylamine
5'-tosyladenosine
5'-<(2-cyanoethyl)methylamino>-5'-deoxyadenosine
Conditions | Yield |
---|---|
at 20℃; for 120h; | 87% |
at 20℃; for 120h; | 87% |
for 120h; Ambient temperature; | 80% |
for 168h; Ambient temperature; | 42% |
Conditions | Yield |
---|---|
With lithium triethylborohydride In tetrahydrofuran for 1h; Ambient temperature; | 86% |
With lithium triethylborohydride In tetrahydrofuran at 30℃; for 2h; | 23 mg |
5'-tosyladenosine
Conditions | Yield |
---|---|
Stage #1: Coβ-cyano-(adenin-7-yl)cobamide With tert-butylammonium hexafluorophosphate(V); benzoic acid In methanol at 20℃; for 2h; Electrochemical reaction; Stage #2: 5'-tosyladenosine In methanol at 20℃; for 2h; Electrochemical reaction; | 84.7% |
The 5'-Tosyladenosine, with the CAS registry number 5135-30-8 and EINECS registry number 225-883-1, has the systematic name of 5'-O-[(4-methylphenyl)sulfonyl]adenosine. It is a kind of white crystalline solid, and belongs to the following product categories: API intermediates; Bases & Related Reagents; Nucleotides. And the molecular formula of the chemical is C17H19N5O6S. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes. And it should be stored at -20°C.
The physical properties of 5'-Tosyladenosine are as followings: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 5.02; (6)ACD/BCF (pH 7.4): 5.08; (7)ACD/KOC (pH 5.5): 110.07; (8)ACD/KOC (pH 7.4): 111.39; (9)#H bond acceptors: 11; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 126.28 Å2; (13)Index of Refraction: 1.767; (14)Molar Refractivity: 99.77 cm3; (15)Molar Volume: 240.7 cm3; (16)Polarizability: 39.55×10-24cm3; (17)Surface Tension: 77.9 dyne/cm; (18)Density: 1.75 g/cm3; (19)Flash Point: 413.5 °C; (20)Enthalpy of Vaporization: 116.17 kJ/mol; (21)Boiling Point: 760.1 °C at 760 mmHg; (22)Vapour Pressure: 2.75E-24 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3O)c4ccc(cc4)C
(2)InChI: InChI=1/C17H19N5O6S/c1-9-2-4-10(5-3-9)29(25,26)27-6-11-13(23)14(24)17(28-11)22-8-21-12-15(18)19-7-20-16(12)22/h2-5,7-8,11,13-14,17,23-24H,6H2,1H3,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1
(3)InChIKey: CAXLRAROZXYOHH-LSCFUAHRBM