[2,7-Dimethyl-8-methylsulfonyloxy-2,7-bis(methylsulfonyloxymethyl)oct-4-ynyl] methanesulfonate

Base Information

• Chemical Name: [2,7-Dimethyl-8-methylsulfonyloxy-2,7-bis(methylsulfonyloxymethyl)oct-4-ynyl] methanesulfonate
• CAS No.: 16343-98-9
• Molecular Formula: C₁₆H₃₀O₁₂S₄
• Molecular Weight: 542.671
• NSC Number: 171471
• DSSTox Substance ID: DTXSID60305684
• Wikidata: Q82052406
• Mol file: 16343-98-9.mol

Synonyms:16343-98-9;NSC171471;DTXSID60305684;NSC-171471;[2,7-dimethyl-8-methylsulfonyloxy-2,7-bis(methylsulfonyloxymethyl)oct-4-ynyl] methanesulfonate

Chemical Property of [2,7-Dimethyl-8-methylsulfonyloxy-2,7-bis(methylsulfonyloxymethyl)oct-4-ynyl] methanesulfonate

Chemical Property:

• Vapor Pressure: 4.45E-24mmHg at 25°C
• Refractive Index: 1.515
• Boiling Point: 791.9°C at 760 mmHg
• Flash Point: 432.7°C
• Density: 1.407g/cm³
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 14
• Exact Mass: 542.06201108
• Heavy Atom Count: 32
• Complexity: 938

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC#CCC(C)(COS(=O)(=O)C)COS(=O)(=O)C)(COS(=O)(=O)C)COS(=O)(=O)C

Technology Process of [2,7-Dimethyl-8-methylsulfonyloxy-2,7-bis(methylsulfonyloxymethyl)oct-4-ynyl] methanesulfonate

There total 2 articles about [2,7-Dimethyl-8-methylsulfonyloxy-2,7-bis(methylsulfonyloxymethyl)oct-4-ynyl] methanesulfonate 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:

2,2,7,7-tetra(ethoxycarbonyl)oct-4-yne (16396-60-4) → 1,8-bis-methanesulfonyloxy-2,7-bis-methanesulfonyloxymethyl-2,7-dimethyl-oct-4-yne (16343-98-9)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / diethyl ether

2: (i) collidine, CHCl₃, (ii) H₂O

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1021/ja00985a016

Reference yield:

2,7-bis-hydroxymethyl-2,7-dimethyl-oct-4-yne-1,8-diol (16343-97-8) + methanesulfonyl chloride (124-63-0) → 1,8-bis-methanesulfonyloxy-2,7-bis-methanesulfonyloxymethyl-2,7-dimethyl-oct-4-yne (16343-98-9)

Guidance literature:

Multistep reaction; (i) collidine, CHCl₃, (ii) H₂O;

DOI:10.1021/ja00985a016

Reference yield:

1,8-bis-methanesulfonyloxy-2,7-bis-methanesulfonyloxymethyl-2,7-dimethyl-oct-4-yne (16343-98-9) → 2.2.7.7-Tetrakis(iodomethyl)-4-octin (16343-99-0)

Guidance literature:

Multistep reaction; (i) NaI, 2-ethoxy-ethanol, (ii) H₂O;

DOI:10.1021/ja00985a016

upstream raw materials:

2,7-bis-hydroxymethyl-2,7-dimethyl-oct-4-yne-1,8-diol

methanesulfonyl chloride

2,2,7,7-tetra(ethoxycarbonyl)oct-4-yne

Downstream raw materials:

2.2.7.7-Tetrakis(iodomethyl)-4-octin

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