[4,5-Diacetyloxy-6-(6-benzamidopurin-9-yl)-2-methyloxan-3-yl] acetate

Base Information

• Chemical Name: [4,5-Diacetyloxy-6-(6-benzamidopurin-9-yl)-2-methyloxan-3-yl] acetate
• CAS No.: 27894-28-6
• Molecular Formula: C₂₄H₂₅N₅O₈
• Molecular Weight: 511.491
• NSC Number: 122800
• DSSTox Substance ID: DTXSID80950574

Synonyms:27894-28-6;NSC122800;DTXSID80950574;NSC-122800;6-{[Hydroxy(phenyl)methylidene]amino}-9-(2,3,4-tri-O-acetyl-6-deoxyhexopyranosyl)-9H-purine

Chemical Property of [4,5-Diacetyloxy-6-(6-benzamidopurin-9-yl)-2-methyloxan-3-yl] acetate

Chemical Property:

• Density: 1.48g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 511.17031277
• Heavy Atom Count: 37
• Complexity: 868

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C

Technology Process of [4,5-Diacetyloxy-6-(6-benzamidopurin-9-yl)-2-methyloxan-3-yl] acetate

There total 3 articles about [4,5-Diacetyloxy-6-(6-benzamidopurin-9-yl)-2-methyloxan-3-yl] acetate 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:

Acetic acid (3R,4R,5R,6S)-3,5-diacetoxy-2-bromo-6-methyl-tetrahydro-pyran-4-yl ester (5158-64-5,14227-85-1,16741-27-8,24404-52-2,24877-07-4,36807-84-8,39524-38-4,41881-45-2,60978-06-5,69483-13-2,69980-52-5,75247-28-8,75247-29-9,80483-13-2,80483-14-3,89301-86-0,96648-29-2,108942-35-4,108942-38-7,138514-69-9) + 6-benzamido-9-(chloromercuri)purine (17187-65-4,130100-55-9,94979-83-6) → Acetic acid (2R,3R,4R,5R,6S)-4,5-diacetoxy-2-(6-benzoylamino-purin-9-yl)-6-methyl-tetrahydro-pyran-3-yl ester (27894-28-6,84552-17-0,103285-83-2)

Guidance literature:

With cadmium(II) carbonate; Celite; In xylene; for 3h; Heating;

DOI:10.1021/jm00391a044

Reference yield:

2,3,4-tri-O-acetyl-a-L-fucopyranosyl bromide (138514-69-9) + 6-benzamido-9-(chloromercuri)purine (17187-65-4,130100-55-9,94979-83-6) → Acetic acid (2S,3S,4S,5R,6R)-4,5-diacetoxy-2-(6-benzoylamino-purin-9-yl)-6-methyl-tetrahydro-pyran-3-yl ester (27894-28-6,84552-17-0,103285-83-2)

Guidance literature:

With cadmium(II) carbonate; Celite; In xylene; for 4h; Heating;

DOI:10.1021/jm00391a044

Reference yield:

1,2,3,4-tetra-O-acetyl-6-deoxy-D-allopyranose (7404-35-5,17081-04-8,20853-37-6,24332-95-4,27821-10-9,27821-11-0,30021-94-4,33947-15-8,34371-40-9,34371-41-0,35521-79-0,36807-81-5,36807-82-6,50615-78-6,51921-33-6,62182-03-0,64913-16-2,70004-81-8,84622-47-9,87303-56-8,108942-32-1,108942-33-2,109430-94-6,143394-72-3) + 6-benzamido-9-(chloromercuri)purine (17187-65-4,130100-55-9,94979-83-6) → Acetic acid (2R,3R,4R,5R,6R)-4,5-diacetoxy-2-(6-benzoylamino-purin-9-yl)-6-methyl-tetrahydro-pyran-3-yl ester (27894-28-6,84552-17-0,103285-83-2)

Guidance literature:

With Celite; titanium tetrachloride; In 1,2-dichloro-ethane; for 22h; Yield given; Heating;

DOI:10.1021/jm00391a044

upstream raw materials:

1,2,3,4-tetra-O-acetyl-6-deoxy-D-allopyranose

6-benzamido-9-(chloromercuri)purine

Acetic acid (3R,4R,5R,6S)-3,5-diacetoxy-2-bromo-6-methyl-tetrahydro-pyran-4-yl ester

2,3,4-tri-O-acetyl-a-L-fucopyranosyl bromide

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