Dimethyl ether-d6

Base Information

• Chemical Name: Dimethyl ether-d6
• CAS No.: 17222-37-6
• Molecular Formula: C2D6 O
• Molecular Weight: 52.0214
• European Community (EC) Number: 686-075-6
• DSSTox Substance ID: DTXSID80425999
• Nikkaji Number: J515.011F
• Wikidata: Q82238961
• Mol file: 17222-37-6.mol

Synonyms:Dimethyl ether-d6;Dimethyl-d6 ether;17222-37-6;trideuterio(trideuteriomethoxy)methane;(CD3)2O;(Methyl ether)-d6;Methane-d3, oxybis-;DTXSID80425999;CHEBI:193135;AKOS015915867;D99541;Dimethyl ether-d6, 99 atom % D, 99% (CP)

Chemical Property of Dimethyl ether-d6

Chemical Property:

• Vapor Pressure: 7760 mm Hg ( 25 °C)
• Melting Point: −141 °C(lit.)
• Boiling Point: −24.8 °C(lit.)
• PSA: 9.23000
• Density: 1.62 (vs air)
• LogP: 0.26260
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 52.079525286
• Heavy Atom Count: 3
• Complexity: 2.8

Purity/Quality:

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

DimethylEther-d6(99atom%D) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xi,F+
• Statements: 11-36/37/38-12
• Safety Statements: 16-26-33-38-9

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC
• Isomeric SMILES: [2H]C([2H])([2H])OC([2H])([2H])[2H]
• Uses: Dimethyl Ether-d6 (99 atom % D) is used for calibration and shift differences in high-precision carbon-13 shift thermometer for 100-300 K.

Technology Process of Dimethyl ether-d6

There total 7 articles about Dimethyl ether-d6 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: 75.0%

iodomethane-d3 (865-50-9) + 3C(2)H3O(1-)*Al(3+) → dimethyl ether-d6 (17222-37-6)

Guidance literature:

In N,N-dimethyl-formamide; at 59 - 70 ℃; for 48h;

Reference yield:

methyl trideuteriomethyl ether (13725-27-4) → Dimethyl ether (115-10-6,157621-61-9) + dimethyl ether-d6 (17222-37-6)

Guidance literature:

methyl trideuteriomethyl ether; H_0.50D_0.50SAPO-34; at 349.85 ℃; for 2h;

With water; water-d2;

DOI:10.1002/anie.200504372

Reference yield:

dimethylsulfoxide-d6 (2206-27-1) + methyl iodide (74-88-4) → methanol (67-56-1) + Dimethyl ether (115-10-6,157621-61-9) + dimethyl ether-d6 (17222-37-6) + dimethylsulfoxide-d5 + Methyl(trideuteriomethyl)sulfid (4752-12-9) + dimethyl sulfide-d6 (926-09-0) + dimethylsulphoxide-d3 (21892-74-0) + <2H9>trimethylsulphoxonium iodide (23726-00-3) + trimethylsulphoxonium-d6 iodide (78730-02-6)

Guidance literature:

In 1,4-dioxane; at 21.84 ℃; Time; Sealed tube;

DOI:10.1080/17415993.2015.1066376

upstream raw materials:

Dimethyl ether

iodomethane-d3

d⁽⁴⁾-methanol

methyl trideuteriomethyl ether

Downstream raw materials:

C₃⁽²⁾H₉O⁽¹⁺⁾*BF₄^(1-)