5-Deoxy-5-fluoroarbekacin

Base Information

• Chemical Name: 5-Deoxy-5-fluoroarbekacin
• CAS No.: 119783-91-4
• Molecular Formula: C₂₂H₄₃FN₆O₉
• Molecular Weight: 554.617
• DSSTox Substance ID: DTXSID30152586
• Wikidata: Q83019256
• Mol file: 119783-91-4.mol

Synonyms:5-deoxy-5-epi-5-fluoro-arbekacin;5-deoxy-5-fluoroarbekacin

Chemical Property of 5-Deoxy-5-fluoroarbekacin

Chemical Property:

• Vapor Pressure: 2.25E-35mmHg at 25°C
• Boiling Point: 870.4°Cat760mmHg
• Flash Point: 480.2°C
• PSA: 280.53000
• Density: 1.45g/cm³
• LogP: -1.08040
• XLogP3: -5.7
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 10
• Exact Mass: 554.30755513
• Heavy Atom Count: 38
• Complexity: 762

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C(OC1CN)OC2C(CC(C(C2F)OC3C(C(C(C(O3)CO)O)N)O)NC(=O)C(CCN)O)N)N
• Isomeric SMILES: C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2F)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)NC(=O)[C@H](CCN)O)N)N

Technology Process of 5-Deoxy-5-fluoroarbekacin

There total 15 articles about 5-Deoxy-5-fluoroarbekacin 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:

C54H67FN6O17 → 1-N-<(S)-4-Amino-2-hydroxybutanoyl>-5,3',4'-trideoxy-5-fluorokanamycin B (119783-91-4)

Guidance literature:

With hydrogen; palladium; In 1,4-dioxane; water; acetic acid; Yield given;

DOI:10.1016/0008-6215(93)84194-B

Reference yield:

C56H66F4N6O18 → 1-N-<(S)-4-Amino-2-hydroxybutanoyl>-5,3',4'-trideoxy-5-fluorokanamycin B (119783-91-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 2 M NH₃ in aq. oxolane

2: hydrogen / Pd / dioxane; H₂O; acetic acid

With ammonia; hydrogen; palladium; In 1,4-dioxane; water; acetic acid;

DOI:10.1016/0008-6215(93)84194-B

Reference yield:

C46H75FN6O18 → 1-N<(S)-4-amino-2-hydroxybutanoyl>-5,3',4'-trideoxy-5-epifluorokanamycin B (119783-91-4)

Guidance literature:

With hydrogenchloride; In methanol; water; for 2h; Yield given; Ambient temperature;

DOI:10.1016/0008-6215(95)00123-B

upstream raw materials:

C₄₄H₅₃F₄N₅O₁₄

5,3',4'-trideoxy-5-epifluorokanamycin B

3',4'-dideoxy-1,3,2',6',3''-pentakis(N-tert-butoxycarbonyl)kanamycin B