1,7-Heptanediol, dimethanesulfonate

Base Information

• Chemical Name: 1,7-Heptanediol, dimethanesulfonate
• CAS No.: 30412-10-3
• Molecular Formula: C9H20 O6 S2
• Molecular Weight: 288.386
• DSSTox Substance ID: DTXSID20184497
• Nikkaji Number: J1.445.412H
• Wikidata: Q83055407
• Mol file: 30412-10-3.mol

Synonyms:1,7-Heptanediol, dimethanesulfonate;30412-10-3;Heptane dimethanesulphonate;SCHEMBL4300371;DTXSID20184497

Chemical Property of 1,7-Heptanediol, dimethanesulfonate

Chemical Property:

• Vapor Pressure: 5.63E-09mmHg at 25°C
• Refractive Index: 1.471
• Boiling Point: 481.8°Cat760mmHg
• Flash Point: 245.2°C
• Density: 1.243g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 288.07013070
• Heavy Atom Count: 17
• Complexity: 335

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OCCCCCCCOS(=O)(=O)C

Technology Process of 1,7-Heptanediol, dimethanesulfonate

There total 2 articles about 1,7-Heptanediol, dimethanesulfonate 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: 85.0%

→ heptane-1,7-diyl dimethanesulfonate (30412-10-3)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 4h;

Reference yield: 51.0%

1,7-heptandiol (629-30-1) + methanesulfonyl chloride (124-63-0) → heptane-1,7-diyl dimethanesulfonate (30412-10-3)

Guidance literature:

With pyridine; at 0 ℃;

Reference yield: 17.0%

2-((4S)-6-(4-chlorophenyl)-8-hydroxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide (1300746-10-4) + heptane-1,7-diyl dimethanesulfonate (30412-10-3) → 2,2'-((4S,4'S)-8,8'-(heptane-1,7-diylbis(oxy))bis(6-(4-chlorophenyl)-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine-8,4-diyl))bis(N-ethylacetamide)

Guidance literature:

With potassium carbonate; In acetonitrile; at 80 ℃; for 12h;

upstream raw materials:

1,7-heptandiol

methanesulfonyl chloride

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