Mesityl-d10 oxide

Base Information

• Chemical Name: Mesityl-d10 oxide
• CAS No.: 207456-83-5
• Molecular Formula: C6D10 O
• Molecular Weight: 108.065
• European Community (EC) Number: 693-222-8
• DSSTox Substance ID: DTXSID60583824
• Mol file: 207456-83-5.mol

Synonyms:Mesityl-d10 oxide;207456-83-5;4-Methyl-3-penten-2-one-d10;MESITYL-D10 OXIDE, 98 ATOM % D;1,1,1,3,5,5,5-heptadeuterio-4-(trideuteriomethyl)pent-3-en-2-one;3-Penten-2-one-1,1,1,3,5,5,5-d7, 4-(methyl-d3)-;DTXSID60583824;Mesityl-d10 oxide,98 atom % d;D99552;A935632;J-013580;4-(~2~H_3_)Methyl(~2~H_7_)pent-3-en-2-one;4-(Methyl-d3)pent-3-en-2-one-1,1,1,3,5,5,5-d7

Chemical Property of Mesityl-d10 oxide

Chemical Property:

• Vapor Pressure: 8.76mmHg at 25°C
• Melting Point: −53 °C(lit.)
• Refractive Index: n20/D 1.443(lit.)
• Boiling Point: 129 °C(lit.)
• Flash Point: 31 °C
• PSA: 17.07000
• Density: 0.946 g/mL at 25 °C(lit.)
• LogP: 1.54160
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 108.135932398
• Heavy Atom Count: 7
• Complexity: 96.7

Purity/Quality:

99%min. ^*data from raw suppliers

4-Methyl-3-penten-2-one-d10 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 10-20/21/22-37/38-41
• Safety Statements: 16-26-33-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: CC(=CC(=O)C)C
• Isomeric SMILES: [2H]C(=C(C([2H])([2H])[2H])C([2H])([2H])[2H])C(=O)C([2H])([2H])[2H]
• Uses: Mesityl Oxide-d10 is the labelled form of Mesityl Oxide, a α,β-unsaturated ketone, and has a strong peppermint odor. It is mainly used as a solvent and in the production of methyl isobutyl ketone by hydrogenation.

Technology Process of Mesityl-d10 oxide

There total 6 articles about Mesityl-d10 oxide 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: 78.0%

4-methyl-pent-3-en-2-one (141-79-7) → 4-methylpent-3-en-2-one (207456-83-5)

Guidance literature:

With [⁽²⁾H₆]acetone; sodium acetate; 1-butyl-3-methylimidazolium chloride; at 80 ℃; for 12h; Sealed tube;

DOI:10.1002/adsc.202001507

Reference yield: 40.0%

[(2)H6]acetone (666-52-4) → 4-methylpent-3-en-2-one (207456-83-5)

Guidance literature:

With magnesium oxide; 4 A molecular sieve; In cyclohexane; for 72h; Heating;

DOI:10.1021/jf0004715

Reference yield:

dimethylacetylene (503-17-3) + Zeise's dimer + [(2)H6]acetone (666-52-4) → dichlorobis(ethy1ene)-platinum (31781-68-7) + dichloro(tetramethylcyclobutadiene)platinum(II) (56664-93-8) + d12-4-hydroxy-4-methyl-2-pentanone (114253-85-9) + 4-methylpent-3-en-2-one (207456-83-5) + trans-[PtCl2(Me2CO)(H2C=CH2)]

Guidance literature:

In [⁽²⁾H₆]acetone; Inert atmosphere; Schlenk technique;

DOI:10.1002/ejic.201200744

upstream raw materials:

[⁽²⁾H₆]acetone

d12-4-hydroxy-4-methyl-2-pentanone

dimethylacetylene

4-methyl-pent-3-en-2-one

Downstream raw materials:

5,5-dimethyl-d₆-cyclohexane-1,3-dione

Refernces

• 1、 Koenig, Anja,Bette, Martin,Bruhn, Clemens,Steinborn, Dirk. "Dinuclear olefin and alkyne complexes of platinum(II)". . p. 5881 - 5895. Retrieved 2013/02/26.
• 2、 Vassilikogiannakis, Georgios,Stratakis, Manolis,Orfanopoulos, Michael,Foote, Christopher S.. "Stereochemistry in the ene reactions of singlet oxygen and triazolinediones with allylic alcohols. A mechanistic comparison". . p. 4130 - 4139. Retrieved 2007/10/03.