DMSO-d6

Base Information

• Chemical Name: DMSO-d6
• CAS No.: 2206-27-1
• Molecular Formula: C2D6OS
• Molecular Weight: 84.0874
• Hs Code.: 2845 90 10
• European Community (EC) Number: 218-617-0
• DSSTox Substance ID: DTXSID90944686
• Nikkaji Number: J150.031G
• Wikipedia: Deuterated_DMSO
• Wikidata: Q1100816
• Mol file: 2206-27-1.mol

Synonyms:Dimethyl sulfoxide-d6;2206-27-1;Dimethylsulfoxide-D6;DMSO-d6;deuterated dmso;Methane-d3,sulfinylbis- (9CI);trideuterio(trideuteriomethylsulfinyl)methane;Hexadeuterodimethyl sulfoxide;dimethyl-d6 sulfoxide;(Methyl sulfoxide)-d6;DMSO D6;Methane-d3, sulfinylbis-;Methane-D3-, sulfinylbis-;Di((2H3)methyl) sulphoxide;MFCD00002090;Dimethyl-d6 sulfoxide (DMSO-d6);Dimethyl sulfoxide-d6, 99.9 atom % D;d6-DMSO;Dimethyl sulfoxide-d6, "100%", 99.96 atom % D;Dimethyl sulfoxide-d6, "Special HOH", >=99.9 atom % D;Dimethyl-d6 sulfoxide (DMSO-d6), cont. 0.03 v/v% TMS;Dimethyl sulfoxide-d6, 99.9 atom % D, contains 0.03 % (v/v) TMS;Dimethyl sulfoxide-d6, "100%", 99.96 atom % D, contains 0.03 % (v/v) TMS;Deutero-,dimethylsulfoxide;Hexadeuteriodimethyl sulfoxide;(methanesulfinylmethyl)hydrogen;Dimethyl sulfoxide, deuterated;Bis(trideuteromethyl) sulfoxide;Dimethyl sulfoxide-D6 >99.8%;Dimethyl sulfoxide-D6 >99.9%;DTXSID90944686;CHEBI:193041;EINECS 218-617-0;AKOS015832913;((2)H?)methanesulfinyl((2)H?)methane;AS-57508;Dimethyl sulfoxide-d6, 99.5 atom % D;DIMETHYL SULFOXIDE-D6 99.9ATOM%D;D0381;D3527;Dimethylsulfoxide D6 >99.96%+ 0.03% TMS;H11993;Dimethyl sulfoxide-D6 >99.8% + 0.03% TMS;Dimethyl sulfoxide-d6, 99.9 atom % D, anhydrous;Dimethyl sulfoxide-d6, anhydrous, 99.9 atom % D;J-014459;J-521691;Q1100816;Dimethyl sulfoxide-d6, Extra, Extra, >=99.996 atom % D;Dimethyl sulfoxide-d6, 99.5 atom % D, contains 0.1 % (v/v) TMS;Dimethyl sulfoxide-d6, 99.9 atom % D, contains 1 % (v/v) TMS;Dimethyl sulfoxide-d6, Vetec(TM) reagent grade, 99.8 atom % D;Dimethyl sulfoxide-d6, 99.5 atom % D, contains 0.03 % (v/v) TMS;Dimethyl sulfoxide-d6, 99.9 atom % D, contains 0.4% CFCl3, 0.05% TMS;Dimethyl sulfoxide-d6, "100%", 99.96 atom % D, contains 0.1 % (v/v) TMS;Dimethyl sulfoxide-d6, "100%", 99.96 atom % D, contains 1 % (v/v) TMS;Dimethyl sulfoxide-d6, contains 0.07 wt. % TSP-d4, 99.9 atom % D, 99% (CP);Dimethyl sulfoxide-d6, Vetec(TM) reagent grade, 99.8 atom % D, contains 0.03 % (v/v) TMS

Chemical Property of DMSO-d6

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 0.42 mm Hg ( 20 °C)
• Melting Point: 20.2 °C
• Refractive Index: n20/D 1.476(lit.)
• Boiling Point: 189 °C at 760 mmHg
• Flash Point: 85 °C
• PSA: 36.28000
• Density: 1.185 g/cm³
• LogP: 0.86040
• Storage Temp.: Flammables area
• Sensitive.: Hygroscopic
• Solubility.: Minimum isotopic purity 99.96%
• Water Solubility.: Miscible with water and with almost all organic solvents such as alcohols, esters, ketones, chlorinated solvents and aromatic hy
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 84.05159646
• Heavy Atom Count: 4
• Complexity: 29

Purity/Quality:

99% ^*data from raw suppliers

Dimethyl Sulfoxide-d6 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Other Solvents
• Canonical SMILES: CS(=O)C
• Isomeric SMILES: [2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]
• Uses: (Dimethyl Sulfoxide-d6) DMSO is a very common aprotic solvent that is used in a variety of organic chemical reactions and spectroscopic analyses. DMSO-d6 is a solvent of choice in NMR spectroscopy, owing to its unique characteristics of dissolving both nonpolar and polar compounds, miscibility with almost all organic solvents and permitting high temperature dynamic NMR studies. Dimethyl sulfoxide-d6 may be used as an NMR solvent for 1H and 13C NMR experiments.

Technology Process of DMSO-d6

There total 14 articles about DMSO-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: 92.0%

1-[3-(t-butoxycarbonylaminomethyl)phenyl]-5-[(3-fluoro-2'-methylsulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-3-(methylthio)pyrazole → dimethylsulfoxide-d6 (2206-27-1) + 1-[3-(aminomethyl)phenyl]-5-[(3-fluoro-2'-methylsulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-3-(methylthio)pyrazole

Guidance literature:

With trifluoroacetic acid; In dichloromethane;

Reference yield: 5.2%

dimethyl sulfide-d6 (926-09-0) → dimethylsulfoxide-d6 (2206-27-1) + ((methyl-d3)sulfonyl)methane-d3 (22230-82-6) + C2H(2)H5O2S

Guidance literature:

With 5,10,15,20-tetrakisphenylporphyrin; oxygen; In benzene; for 1.33333h; Mechanism; Product distribution; Ambient temperature; Irradiation; var. irradiation times, var. solvent, also with addition H₂O; other sulfides; kinetic isotope effect;

DOI:10.1021/ja960323o

Reference yield:

[2,2]bipyridinyl (366-18-7) + 1,3-cyclooctadiene (3806-59-5) + 2-benzenesulfonyl-1,4-dibromobenzene (1312951-81-7) + 2,2'-bis-benzenesulfonyl-4,4'-dibromobiphenyl (1312951-82-8) + nickel(0)(1,5-cyclooctadiene)2 → dimethylsulfoxide-d6 (2206-27-1)

Guidance literature:

In methanol;

upstream raw materials:

N,N'-dimethylbenzylamine

C₂H⁽²⁾H₆OS⁽¹⁺⁾

trifluoroacetate

dimethyl sulfide-d6

Downstream raw materials:

2-Brom-1,1-dimethyl-propoxy(³H₆)dimethylsulfonium-tetraphenylborat

C₁₁H₁₆⁽²⁾H₄O₂S

2-amino-5-anilino-3-carbomethoxy-1,4-benzoquinone

5-anilino-1-deuteriomethylthiodeuteriomethyl<2,1>benzisoxazol-3(1H)-one-4,7-quinone

Refernces

Rotational Isomerism in Fluorene Derivatives. XVI. Conformational Equilibria of 9-Substituted 9-(2'-Bromomethylphenyl)fluorene Derivatives

10.1246/bcsj.62.2093

The research focused on the rotational isomerism in fluorene derivatives, specifically examining the conformational equilibria of 9-substituted 9-(2-bromomethylphenyl)fluorene derivatives. The purpose of the study was to understand the conformational equilibria (ap-sp) of these compounds based on the kinetic data for internal rotation obtained through HNMR spectroscopy. The researchers synthesized eight 9-substituted 9-(2'-bromomethylphenyl)fluorene derivatives and compared their HNMR behavior with those of 9-substituted 9-(2'-methylphenyl)fluorene derivatives. The conclusions drawn from the study indicated that the conformational equilibria were influenced by electronic repulsion and/or steric hindrance between the 2'-bromomethyl group and the 9-carbonyl group or the fluorene ring. Chemicals used in the process included NBS (N-Bromosuccinimide), BPO (Benzoyl peroxide), carbon tetrachloride, dry hydrogen bromide, and various solvents such as CDCl3, DMSO-d6, acetone-d6, and methanol-d4 for NMR spectroscopy, as well as reagents for the synthesis and purification of the fluorene derivatives.

ELECTROPHILIC SUBSTITUTION REACTIONS OF 3-ACETYLAMINO-5-METHOXYBENZOFURAN

10.1007/BF00663850

The research investigates the impact of the acetylamino group on the electrophilic substitution reactions of benzofuran, specifically focusing on the reactivity of the 2-position with respect to electrophilic reagents. The study aimed to understand the influence of the acetylamino group on directing these reactions exclusively to the 2-position of the heterocycle and to explore the potential of these compounds in Mannich and azo coupling reactions, which benzofuran itself does not undergo. The researchers concluded that the presence of a 3-acetylamino group significantly increases the reactivity of the 2-position towards electrophilic reagents. The chemicals used in the study include 3-acetylaminobenzofurans, phosphorus oxychloride, ammonium acetate, bis(dimethylamino)methane, phenyldiazonium chloride, N-bromosuccinimide, and various solvents and reagents for the synthesis and characterization of the compounds, such as DMF, glacial acetic acid, dioxane, and DMSO-d6 for spectroscopic analysis.