1,3-Propanediol, 2,2-diethyl-, dimethanesulfonate

Base Information

• Chemical Name: 1,3-Propanediol, 2,2-diethyl-, dimethanesulfonate
• CAS No.: 56472-22-1
• Molecular Formula: C₉H₂₀O₆S₂
• Molecular Weight: 288.386
• NSC Number: 135377
• DSSTox Substance ID: DTXSID50300209
• Wikidata: Q82043088

Synonyms:56472-22-1;1,3-Propanediol, 2,2-diethyl-, dimethanesulfonate;2,2-Diethyl-1,3-propanediol-1,3-dimethanesulfonate;NIOSH/TY5348000;TY53480000;2,2-Diethyl-1,3-propanediol dimethanesulfonate;NSC135377;SCHEMBL17017227;DTXSID50300209;AKOS024329253;NSC-135377;2,2-Diethylpropane-1,3-diyl dimethanesulfonate;2-Ethyl-2-[(methanesulfonyloxy)methyl]butyl methanesulfonate;2-ethyl-2-{[(methylsulfonyl)oxy]methyl}butyl methanesulfonate

Chemical Property of 1,3-Propanediol, 2,2-diethyl-, dimethanesulfonate

Chemical Property:

• Vapor Pressure: 1.2E-08mmHg at 25°C
• Boiling Point: 472.6°C at 760 mmHg
• Flash Point: 239.6°C
• Density: 1.243g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 288.07013070
• Heavy Atom Count: 17
• Complexity: 369

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3-Propanediol, 2,2-diethyl-, dimethanesulfonate

There total 2 articles about 1,3-Propanediol, 2,2-diethyl-, 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: 95.0%

2,2-diethyl-1,3-propanediol (115-76-4) + methanesulfonyl chloride (124-63-0) → 2,2-diethylpropane-1,3-diyl dimethanesulfonate (56472-22-1)

Guidance literature:

With pyridine; dmap; In dichloromethane; at 0 ℃; for 4h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201804479

Reference yield:

→ 2,2-diethylpropane-1,3-diyl dimethanesulfonate (56472-22-1)

Guidance literature:

DOI:10.1021/ic50118a007

Reference yield: 41.0%

2,2-diethylpropane-1,3-diyl dimethanesulfonate (56472-22-1) + diphenylphosphane (829-85-6) → (2,2-diethylpropane-1,3-diyl)bis(diphenylphosphane) (212311-87-0)

Guidance literature:

diphenylphosphane; With n-butyllithium; In tetrahydrofuran; at 0 - 25 ℃; for 1h; Inert atmosphere; Schlenk technique;

2,2-diethylpropane-1,3-diyl dimethanesulfonate; In tetrahydrofuran; at 25 ℃; for 4h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201804479

upstream raw materials:

2,2-diethyl-1,3-propanediol

methanesulfonyl chloride

Downstream raw materials:

2,2-diethyl-1-pentanol

(R)-((1S,3S)-5,5-Diethyl-1,3-dioxo-1λ⁴,3λ⁴-[1,3]dithian-2-yl)-phenyl-methanol

(S)-((1S,3S)-5,5-Diethyl-1,3-dioxo-1λ⁴,3λ⁴-[1,3]dithian-2-yl)-phenyl-methanol

(2,2-diethylpropane-1,3-diyl)bis(diphenylphosphane)

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