Deuteromesitylene

Base Information

• Chemical Name: Deuteromesitylene
• CAS No.: 37055-29-1
• Molecular Formula: C₉H₁₂
• Molecular Weight: 121.186
• DSSTox Substance ID: DTXSID101313407
• Nikkaji Number: J828.157B
• Mol file: 37055-29-1.mol

Synonyms:deuteromesitylene;2,4,6-Trimethylbenzene-d;37055-29-1;DTXSID101313407

Chemical Property of Deuteromesitylene

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 121.100177129
• Heavy Atom Count: 9
• Complexity: 55

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Deuteromesitylene

There total 15 articles about Deuteromesitylene 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: 94.0%

2,4,6-trimethylphenyl bromide (576-83-0) → 2,4,6-trimethyl 1-deuterio benzene (37055-29-1)

Guidance literature:

With sodium amalgam; deuteromethanol; for 2h; Heating;

DOI:10.1021/jo9619037

Reference yield: 72.0%

iodomesitylene (4028-63-1) → 2,4,6-trimethyl 1-deuterio benzene (37055-29-1)

Guidance literature:

With tetrahydrofuran-d8; 2,2'-azobis-(2,4-dimethylvaleronitrile); tri-n-butyl-tin hydride; for 5h; regioselective reaction; Reflux;

DOI:10.1016/j.tet.2010.12.007

Reference yield:

2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-(2,4,6-trimethylphenyl)iodonium ylide (1250409-79-0) → iodomesitylene (4028-63-1) + 1-fluoro-2,4,6-trimethylbenzene (392-69-8) + 2,4,6-trimethyl 1-deuterio benzene (37055-29-1)

Guidance literature:

With potassium fluoride; d₇-N,N-dimethylformamide; [2.2.2]cryptande; at 130 ℃; for 0.25h; Reactivity; sealed tube;

upstream raw materials:

2,4,6-trimethylphenyl bromide

2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-(2,4,6-trimethylphenyl)iodonium ylide

iodomesitylene

2-mesitylmagnesium bromide

Downstream raw materials:

1-acetoxy-3-bromo-2,4,6-trimethylbenzene

2,4,6-trimethylphenyl bromide

C₉H₁₀⁽²⁾HBr

C₁₁H₁₃⁽²⁾HO₂