5-Bromo-4-chloro-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

Base Information

• Chemical Name: 5-Bromo-4-chloro-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
• CAS No.: 873792-93-9
• Molecular Formula: C₁₁H₁₂BrClN₄O₄
• Molecular Weight: 379.598
• ChEMBL ID: CHEMBL4748068
• DSSTox Substance ID: DTXSID801152787
• Mol file: 873792-93-9.mol

Synonyms:873792-93-9;CHEMBL4748068;DTXSID801152787;5-Bromo-4-chloro-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

Chemical Property of 5-Bromo-4-chloro-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

Chemical Property:

• PSA: 126.65000
• LogP: 0.62210
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 377.97305
• Heavy Atom Count: 21
• Complexity: 397

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2Cl)N)Br
• Isomeric SMILES: C1=C(C2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(N=C2Cl)N)Br

Technology Process of 5-Bromo-4-chloro-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

There total 1 articles about 5-Bromo-4-chloro-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine 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%

2-amino-4-chloro-5-bromo-N7-(2′,3′-O-isopropylidene-5′-O-tert-butyldimethylsilyl-β-D-ribofuranosyl)-pyrrolo[2,3-d]pyrimidine (873792-90-6) → 2-amino-5-bromo-4-chloro-7-{β-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidine (873792-93-9)

Guidance literature:

With trifluoroacetic acid; In water; at 20 ℃;

DOI:10.1021/jo0516640

upstream raw materials:

2-amino-4-chloro-5-bromo-N7-(2′,3′-O-isopropylidene-5′-O-tert-butyldimethylsilyl-β-D-ribofuranosyl)-pyrrolo[2,3-d]pyrimidine

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