Adenosine, N-benzoyl-2',3'-O-(1-methylethylidene)-, 5'-(4-methylbenzenesulfonate)

Base Information

Chemical Name:Adenosine, N-benzoyl-2',3'-O-(1-methylethylidene)-, 5'-(4-methylbenzenesulfonate)
CAS No.:39947-05-2
Molecular Formula:C27H27N5O7S
Molecular Weight:565.607
Hs Code.:
DSSTox Substance ID:DTXSID101133544
Nikkaji Number:J1.698.605D
Mol file:39947-05-2.mol

Synonyms:SCHEMBL22393029;DTXSID101133544;39947-05-2;Adenosine, N-benzoyl-2',3'-O-(1-methylethylidene)-, 5'-(4-methylbenzenesulfonate)

Suppliers and Price of Adenosine, N-benzoyl-2',3'-O-(1-methylethylidene)-, 5'-(4-methylbenzenesulfonate)

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Adenosine, N-benzoyl-2',3'-O-(1-methylethylidene)-, 5'-(4-methylbenzenesulfonate)

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:565.16311939
Heavy Atom Count:40
Complexity:1010

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C(C(O2)N4C=NC5=C(N=CN=C54)NC(=O)C6=CC=CC=C6)OC(O3)(C)C
Isomeric SMILES:CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@@H]3[C@H]([C@@H](O2)N4C=NC5=C(N=CN=C54)NC(=O)C6=CC=CC=C6)OC(O3)(C)C

Technology Process of Adenosine, N-benzoyl-2',3'-O-(1-methylethylidene)-, 5'-(4-methylbenzenesulfonate)

There total 3 articles about Adenosine, N-benzoyl-2',3'-O-(1-methylethylidene)-, 5'-(4-methylbenzenesulfonate) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

: 98-59-9
p-toluenesulfonyl chloride

: 39947-04-1
N-6-benzoyl-2',3'-O-isopropylideneadenosine

: 39947-05-2
((3aR,4R,6R,6aR)-6-(6-benzamido-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl 4-methylbenzenesulfonate

Guidance literature:: With pyridine; at 20 ℃;
DOI:10.1039/b415446k

Reference yield:

: 39947-05-2
((3aR,4R,6R,6aR)-6-(6-benzamido-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl 4-methylbenzenesulfonate

Guidance literature:: Benzoyl-isopropyliden-adenosin, Tosylierung;

Reference yield:

: 4546-55-8
N-benzoyladenosine

: 39947-05-2
((3aR,4R,6R,6aR)-6-(6-benzamido-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl 4-methylbenzenesulfonate

Guidance literature:: Multi-step reaction with 2 steps

1: toluene-4-sulfonic acid / acetone / 4 h / 25 °C

2: dmap; triethylamine / dichloromethane / 6 h / 0 - 25 °C

With dmap; toluene-4-sulfonic acid; triethylamine; In dichloromethane; acetone;