Mesitylene-d12

Base Information

• Chemical Name: Mesitylene-d12
• CAS No.: 69441-16-3
• Molecular Formula: (CH3)3C6D3
• Molecular Weight: 132.099
• Hs Code.: 28459010
• European Community (EC) Number: 693-098-5
• DSSTox Substance ID: DTXSID80369905
• Nikkaji Number: J733.363C
• Wikidata: Q82157184
• Mol file: 69441-16-3.mol

Synonyms:Mesitylene-d12;69441-16-3;1,3,5-Trimethylbenzene-d12;1,3,5-trideuterio-2,4,6-tris(trideuteriomethyl)benzene;(2H12)Mesitylene;tri(?H?)methyl(?H?)benzene;DTXSID80369905;Mesitylene-d12, 98 atom % D;CS-CE-00857;MFCD00075579;D98958

Chemical Property of Mesitylene-d12

Chemical Property:

• Refractive Index: n20/D 1.496(lit.)
• Flash Point: 112 °F
• PSA: 0.00000
• Density: 0.947 g/mL at 25oC(lit.)
• LogP: 2.61180
• Storage Temp.: Flammables area
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 132.169221334
• Heavy Atom Count: 9
• Complexity: 55

Purity/Quality:

98% ^*data from raw suppliers

Mesitylene-d12 98 atom % D ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-37
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)C)C
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])C([2H])([2H])[2H])[2H])C([2H])([2H])[2H]

Technology Process of Mesitylene-d12

There total 4 articles about Mesitylene-d12 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: 90.0%

mesitylene-methyl-d9 (15690-50-3) → perdeuterio-1,3,5-trimethylbenzene (69441-16-3)

Guidance literature:

With sulfuric acid-d2; In water-d2; for 24h; Ambient temperature;

DOI:10.1039/DT9960002989

Reference yield: 76.0%

1,3,5-trimethyl-benzene (108-67-8) → perdeuterio-1,3,5-trimethylbenzene (69441-16-3)

Guidance literature:

With deuteriated sodium hydroxide; water-d2; at 420 - 430 ℃; for 24h; supercritical pressure;

DOI:10.1016/0040-4039(96)00615-6

Reference yield:

1,3,5-trimethyl-benzene (108-67-8) → perdeuterio-1,3,5-trimethylbenzene (69441-16-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / (CD₃)2SO, NaH / 20 h / 125 °C

2: 90 percent / D₂SO₄ / D₂O / 24 h / Ambient temperature

With dimethylsulfoxide-d6; sodium hydride; sulfuric acid-d2; In water-d2;

DOI:10.1039/DT9960002989

upstream raw materials:

1,3,5-trimethyl-benzene

mesitylene-methyl-d₉

Downstream raw materials:

2,4,6-trimethyl-4'-nitro-1,1'-biphenyl

d₂₂-2,4,6-trimethyl-N-[2-[(2,4,6-trimethylphenyl) imino]ethylidene]aniline

[(η3-cyclohexenyl)Ni(η6-mesitylene-d12)][B(3,5-(CF3)2C6H3)4]

d₁₁-1,3,5-trimethyl-2-nitrobenzene

Refernces

• 1、 O'Hare, Dermot,Heyes, Stephen J.,Barlow, Stephen,Mason, Susan. "Molecular dynamics in solid bis(η-arene)molybdenum complexes studied by solid-state deuterium nuclear magnetic resonance spectroscopy". . p. 2989 - 2993. Retrieved 2007/10/03.