5'-sulfamoyl-2-chloroadenosine

Base Information

• Chemical Name: 5'-sulfamoyl-2-chloroadenosine
• CAS No.: 66522-52-9
• Molecular Formula: C10H13ClN6O6S
• Molecular Weight: 380.80
• DSSTox Substance ID: DTXSID40985140
• Nikkaji Number: J86.654G
• Wikidata: Q76009836
• Pharos Ligand ID: AJYT7WP6MVF7
• Metabolomics Workbench ID: 98282
• ChEMBL ID: CHEMBL3250749

Synonyms:2-chloro-5''-O-sulfamoyladenosine;2-chloro-O5''-sulfamoyl-adenosine;

Chemical Property of 5'-sulfamoyl-2-chloroadenosine

Chemical Property:

• Refractive Index: 1.6300 (estimate)
• Boiling Point: 685.4°Cat760mmHg
• Flash Point: 368.3°C
• PSA: 197.08000
• Density: 2.32g/cm³
• LogP: 0.26350
• XLogP3: -2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 380.0305810
• Heavy Atom Count: 24
• Complexity: 565

Purity/Quality:

97% ^*data from raw suppliers

5'-SULFAMOYL-2-CHLOROADENOSINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COS(=O)(=O)N)O)O)Cl)N
• Isomeric SMILES: C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)Cl)N

Technology Process of 5'-sulfamoyl-2-chloroadenosine

There total 9 articles about 5'-sulfamoyl-2-chloroadenosine 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: 63.0%

methanol (67-56-1) + 9-(2'-3'-di-O-acetyl-5'-O-sulfamoyl-β-D-ribofuranosyl)-2,6-dichloropurine (160473-71-2) → 2-chloro-5'-O-sulfamoyladenosine (66522-52-9) + 2-chloro-6-methoxy-9-(5-O-sulfamoyl-β-D-ribofuranosyl)purine

Guidance literature:

With ammonium hydroxide; for 72h; Ambient temperature;

DOI:10.1016/S0040-4020(01)81336-3

Reference yield: 54.0%

[(3aR,4R,6R,6aR)-6-(6-amino-2-chloro-9H-purin-9-yl)-2,2-dimethyltetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl sulfamate (103251-76-9) → 2-chloro-5'-O-sulfamoyladenosine (66522-52-9)

Guidance literature:

With water; trifluoroacetic acid; at 20 ℃; for 18h;

DOI:10.1021/acs.orglett.1c00855

Reference yield: 22.0%

9-(2'-3'-di-O-acetyl-5'-O-sulfamoyl-β-D-ribofuranosyl)-2,6-dichloropurine (160473-71-2) → 2-chloro-5'-O-sulfamoyladenosine (66522-52-9) + 2-chloro-6-methoxy-9-(5-O-sulfamoyl-β-D-ribofuranosyl)purine

Guidance literature:

With ammonium hydroxide; In methanol; for 72h; Ambient temperature;

DOI:10.1016/S0040-4020(01)81336-3

upstream raw materials:

methanol

9-(2'-3'-di-O-acetyl-5'-O-sulfamoyl-β-D-ribofuranosyl)-2,6-dichloropurine

5-O-triphenylmethyl-D-ribofuranose-1,2,3-triacetate

D-Ribose

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