(s)-1,2,4-Butanetriol trimesylate

Base Information

• Chemical Name: (s)-1,2,4-Butanetriol trimesylate
• CAS No.: 99520-81-7
• Molecular Formula: C₇H₁₆O₉S₃
• Molecular Weight: 340.397
• Hs Code.: 2905199090
• DSSTox Substance ID: DTXSID50723575
• Mol file: 99520-81-7.mol

Synonyms:(s)-1,2,4-butanetriol trimesylate;SCHEMBL6666191;DTXSID50723575;(S)-Butane-1,2,4-triyl trimethanesulfonate;1,2,4-Butanetriol,trimethanesulfonate,(2S)-(9ci)

Chemical Property of (s)-1,2,4-Butanetriol trimesylate

Chemical Property:

• Melting Point: 80.5°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 446.19°C (rough estimate)
• PSA: 155.25000
• Density: 1.7714 (rough estimate)
• LogP: 1.91610
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 339.99564560
• Heavy Atom Count: 19
• Complexity: 555

Purity/Quality:

99% ^*data from raw suppliers

(S)-1,2,4-BUTANETRIOL TRIMETHANESULFONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OCCC(COS(=O)(=O)C)OS(=O)(=O)C
• Isomeric SMILES: CS(=O)(=O)OCC[C@@H](COS(=O)(=O)C)OS(=O)(=O)C

Technology Process of (s)-1,2,4-Butanetriol trimesylate

There total 1 articles about (s)-1,2,4-Butanetriol trimesylate 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:

(S)-1,2,4-butanetriol (42890-76-6,6810-31-7) + methanesulfonyl chloride (124-63-0) → (2S)-1,2,4-trimethanesulfonyloxybutane (99520-81-7,203515-83-7,108963-16-2)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 ℃; for 2h; Yield given;

Reference yield:

[1-Amino-eth-(Z)-ylidene]-carbamic acid 4-nitro-benzyl ester (96405-08-2) + (2S)-1,2,4-trimethanesulfonyloxybutane (99520-81-7,203515-83-7,108963-16-2) → 3-(S)-methansulfonyloxy-1-(N-p-nitrobenzyloxycarbonylacetimidoyl)pyrrolidine (90505-38-7)

Guidance literature:

With ammonia; triethylamine; Yield given. Multistep reaction; 1.) EtOH, RT, 3 d, 2.) EtOH, CH₂Cl₂, RT, 6 h;

Reference yield:

(2S)-1,2,4-trimethanesulfonyloxybutane (99520-81-7,203515-83-7,108963-16-2) + 4-nitrobenzyl chloroformate (4457-32-3) → 3-(S)-methansulfonyloxy-1-p-nitrobenzyloxycarbonylpyrrolidine (99520-91-9)

Guidance literature:

With ammonia; triethylamine; Yield given. Multistep reaction; 1.) EtOH, RT, 3 d, 2.) CH₂Cl₂, 0 deg C;

upstream raw materials:

(S)-1,2,4-butanetriol

methanesulfonyl chloride

Downstream raw materials:

3-(S)-methansulfonyloxy-1-(N-p-nitrobenzyloxycarbonylacetimidoyl)pyrrolidine

3-(S)-methansulfonyloxy-1-p-nitrobenzyloxycarbonylpyrrolidine

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