Pleuromutilin 22-Mesylate

Base Information

• Chemical Name: Pleuromutilin 22-Mesylate
• CAS No.: 60924-38-1
• Molecular Formula: C23H36O7S
• Molecular Weight: 456.601
• European Community (EC) Number: 700-396-1,612-052-7
• Mol file: 60924-38-1.mol

Synonyms:Pleuromutilin-22-mesylate;60924-38-1;Pleuromutilin 22-Mesylate;2-[(Methylsulfonyl)oxy]acetic acid (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester

Chemical Property of Pleuromutilin 22-Mesylate

Chemical Property:

• Refractive Index: 1.537
• Boiling Point: 571 °C at 760 mmHg
• PKA: 14.63±0.70(Predicted)
• Flash Point: 299.1 °C
• PSA: 115.35000
• Density: 1.22 g/cm³
• LogP: 3.94990
• Storage Temp.: 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 456.21817466
• Heavy Atom Count: 31
• Complexity: 862

Purity/Quality:

99.9% ^*data from raw suppliers

Pleuromutilin22-Mesylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)COS(=O)(=O)C)C
• Isomeric SMILES: C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)COS(=O)(=O)C)C
• Uses: Pleuromutilin 22-Mesylate is a derivative of Pleuroutillin (P610500), an antibiotic substance produced by the basidiomycetes Pleurotus mutilus used in the synthesis of Retapamulin (R279008), an antibacterial agent used as a substitute for the more commonly known Penicillin (P223505).

Technology Process of Pleuromutilin 22-Mesylate

There total 2 articles about Pleuromutilin 22-Mesylate 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: 100.0%

methanesulfonyl chloride (124-63-0) + pleuromutilin → {(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldeca hydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacyclo-octen-8-yl methanesulfonyloxyacetate} (60924-38-1)

Guidance literature:

With triethylamine; In dichloromethane; at -17 - -15 ℃; for 1h; Temperature; Time; Inert atmosphere; Large scale;

DOI:10.1021/op300263w

Reference yield:

8-glycoloyloxy-5-hydroxy-4,6,9,10-tetramethyl-6-vinyl-octahydro-3a,9-propano-cyclopentacycloocten-1-one (1212267-35-0) + methanesulfonyl chloride (124-63-0) → Methanesulfonyloxy-acetic acid 3-hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyl-tricyclo[5.4.3.01,8]tetradec-6-yl ester (60924-38-1)

Guidance literature:

With triethylamine;

DOI:10.7164/antibiotics.29.915

Reference yield: 100.0%

{(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldeca hydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacyclo-octen-8-yl methanesulfonyloxyacetate} (60924-38-1) + 1-azoniabicyclo[2.2.2]octane-4-thiol chloride (224296-93-9) → (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl-[1-azoniabicyclo[2.2.2]octane-4-thio]acetate (224296-26-8)

Guidance literature:

1-azoniabicyclo[2.2.2]octane-4-thiol chloride; With sodium hydroxide; In methanol; at 13 - 20 ℃; for 1h; Inert atmosphere; Large scale;

{(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldeca hydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacyclo-octen-8-yl methanesulfonyloxyacetate}; In methanol; at 20 ℃; for 1.5h; Inert atmosphere; Large scale;

DOI:10.1021/op300263w

upstream raw materials:

8-glycoloyloxy-5-hydroxy-4,6,9,10-tetramethyl-6-vinyl-octahydro-3a,9-propano-cyclopentacycloocten-1-one

methanesulfonyl chloride

Downstream raw materials:

retapamulin

(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl-[1-azoniabicyclo[2.2.2]octane-4-thio]acetate

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