2,2'-Oxybis((2H5)ethane)

Base Information

• Chemical Name: 2,2'-Oxybis((2H5)ethane)
• CAS No.: 2679-89-2
• Molecular Formula: C4D10 O
• Molecular Weight: 84.0434
• Hs Code.: 28459000
• European Community (EC) Number: 220-235-4
• DSSTox Substance ID: DTXSID80181301
• Nikkaji Number: J192.193B
• Wikidata: Q13640576
• Mol file: 2679-89-2.mol

Synonyms:2679-89-2;Diethyl ether-d10;2,2'-Oxybis((2H5)ethane);Ether-d10;EINECS 220-235-4;1,1,1,2,2-pentadeuterio-2-(1,1,2,2,2-pentadeuterioethoxy)ethane;2,2'-oxybis[[2H5]ethane];Diethylether-D10;Di(ethyl-d5) ether;(Ethyl ether)-d10;Ethane-d5, 2,2'-oxybis-;C4D10O;Ether-d10, 99 atom % D;DTXSID80181301;2,2/'-Oxybis((2H5)ethane);MFCD00062316;AKOS015903250;J-016550;Q13640576

Chemical Property of 2,2'-Oxybis((2H5)ethane)

Chemical Property:

• Vapor Pressure: 567mmHg at 25°C
• Melting Point: -116oC
• Refractive Index: 1.351-1.353
• Boiling Point: 33.2°Cat760mmHg
• Flash Point: °C
• PSA: 9.23000
• Density: 0.734g/cm³
• LogP: 1.04280
• Storage Temp.: 0-6°C
• Solubility.: 69g/l
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 84.135932398
• Heavy Atom Count: 5
• Complexity: 11.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ether-d10 99 atom % D ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F+Xn
• Hazard Codes: F+,Xn
• Statements: 12-19-22-66-67
• Safety Statements: 9-16-29-33

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOCC
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])OC([2H])([2H])C([2H])([2H])[2H]
• Uses: Ether-d10 (Diethyl ether-d10) may be used as an NMR solvent to propose the structure for [4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,3,3-trimethyl-1-(trimethylsilyl)butyl]lithium based on the NMR data.

Technology Process of 2,2'-Oxybis((2H5)ethane)

There total 6 articles about 2,2'-Oxybis((2H5)ethane) 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:

ethanol-d6 (1516-08-1) → Ethylene-d4 (683-73-8,25549-98-8) + bis-pentadeuterioethyl ether (2679-89-2)

Guidance literature:

With pyridine; alumina; at 214.84 ℃; under 760.051 Torr; Pressure; Kinetics; Mechanism; Inert atmosphere;

DOI:10.1021/cs400051k

Reference yield:

diethyl ether (60-29-7,927820-24-4) → bis-pentadeuterioethyl ether (2679-89-2)

Guidance literature:

With BF₄^(1-)*C₁₅H₁₉N₄O₂Pd⁽¹⁺⁾; water-d2; In Hexafluorobenzene; at 100 ℃; for 22h;

DOI:10.1002/adsc.200800698

Reference yield:

ethanol-d6 (1516-08-1) + ethyl iodide (75-03-6) → bis-pentadeuterioethyl ether (2679-89-2)

Guidance literature:

With oxygen-covered Au nanoparticles on Au⁽¹¹¹⁾; at -123.16 - -83.16 ℃; under 2E-10 Torr;

DOI:10.1039/c3cp43956a

upstream raw materials:

ethanol-d6

diethyl ether

ethyl iodide

ethanol-d5

Downstream raw materials:

deuterium

1-butylbenzene

4-phenyl-butan-1-ol

1-phenyl-1-(trimethylsilyl)butane

Refernces

• 1、 Khazipov, Oleg V.,Nykytenko, Denys V.,Krasnyakova, Tatyana V.,Vdovichenko, Alexander N.,Fuentes Frias, Dario A.,Mitchenko, Serge A.. "Catalytic etherification of alcohols in Shilov system: C[sbnd]O versus C[sbnd]H bond activation". . p. 490 - 498. Retrieved 2016/12/16.
• 2、 DeWilde, Joseph F.,Chiang, Hsu,Hickman, Daniel A.,Ho, Christopher R.,Bhan, Aditya. "Kinetics and mechanism of ethanol dehydration on γ-Al 2O3: The critical role of dimer inhibition". . p. 798 - 807. Retrieved 2013/05/21.