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5135-30-8

Basic Information
CAS No.: 5135-30-8
Name: 5'-Tosyladenosine
Article Data: 7
Molecular Structure:
Molecular Structure of 5135-30-8 (5'-Tosyladenosine)
Formula: C17H19N5O6S
Molecular Weight: 421.434
Synonyms: 5'-O-[(4-methylphenyl)sulfonyl]adenosine;Adenosine 5-(toluene-4-sulphonate);5-Tosyladenosine;adenosine 5'-(toluene-4-sulphonate);N-(5-diethylaminopentan-2-yl)-3-(3,4,5-trimethoxyphenyl)-2,5,10-triazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene-7,9-diamine;adenosine, 5'-(4-methylbenzenesulfonate);
EINECS: 225-883-1
Density: 1.75 g/cm3
Melting Point: 151-153 °C
Boiling Point: 760.1 °C at 760 mmHg
Flash Point: 413.5 °C
Appearance: white crystalline solid
Safety: 24/25
PSA: 171.06000
LogP: 1.40360
Synthetic route
127246-72-4

5'-O-toluenesulphonyl-N6-benzoyladenosine

5135-30-8

5'-tosyladenosine

Conditions
ConditionsYield
With ammonia In methanol Ambient temperature;720 mg
With ammonium hydroxide In methanol
98-59-9

p-toluenesulfonyl chloride

2.6-dioxy-4-methoxy-benzophenone

2.6-dioxy-4-methoxy-benzophenone

5135-30-8

5'-tosyladenosine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: pyridine
2: aq. NH3 / methanol
View Scheme
4546-55-8

N-benzoyladenosine

5135-30-8

5'-tosyladenosine

Conditions
ConditionsYield
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
98-59-9

p-toluenesulfonyl chloride

5135-30-8

5'-tosyladenosine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: pyridine / Ambient temperature
2: 720 mg / ammonia / methanol / Ambient temperature
View Scheme
5135-30-8

5'-tosyladenosine

N3,5'-cycloadenosine p-toluenesulfonate

Conditions
ConditionsYield
In ethanol for 3h; Heating;96%
18143-30-1

2-trimethylsilylethanethiol

5135-30-8

5'-tosyladenosine

5'-deoxy-5'-(2-(trimethylsilyl)ethyl)adenosine

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 15h;96%
5135-30-8

5'-tosyladenosine

83316-88-5

8-bromo-5'-O-(p-tolylsulfonyl)adenosine

Conditions
ConditionsYield
With CH3COONa buffer; bromine In methanol for 0.5h; Ambient temperature;89%
693-05-0

N-(2-cyanoethyl)-N-methylamine

5135-30-8

5'-tosyladenosine

72648-38-5

5'-<(2-cyanoethyl)methylamino>-5'-deoxyadenosine

Conditions
ConditionsYield
at 20℃; for 120h;87%
at 20℃; for 120h;87%
for 120h; Ambient temperature;80%
for 168h; Ambient temperature;42%
5135-30-8

5'-tosyladenosine

4754-39-6

5'-deoxyadenosine

Conditions
ConditionsYield
With lithium triethylborohydride In tetrahydrofuran for 1h; Ambient temperature;86%
With lithium triethylborohydride In tetrahydrofuran at 30℃; for 2h;23 mg
5135-30-8

5'-tosyladenosine

Coβ-cyano-(adenin-7-yl)cobamide

Coβ-(5'-deoxy-5'-adenosyl)-(adenin-7-yl)cobamide

Conditions
ConditionsYield
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%
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Specification

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