2,4,6-Trimethylphenylacetylene

Base Information

• Chemical Name: 2,4,6-Trimethylphenylacetylene
• CAS No.: 769-26-6
• Molecular Formula: C11H12
• Molecular Weight: 144.216
• Hs Code.: 2902909090
• European Community (EC) Number: 804-371-7
• DSSTox Substance ID: DTXSID80227692
• Nikkaji Number: J928.305F
• Wikidata: Q83107508
• Mol file: 769-26-6.mol

Synonyms:2-ethynyl-1,3,5-trimethylbenzene;769-26-6;1-ETHYNYL-2,4,6-TRIMETHYLBENZENE;2,4,6-Trimethylphenylacetylene;benzene, 2-ethynyl-1,3,5-trimethyl-;Mesitylethyne;mesitylacetylene;Mesitylene, 2-ethynyl-;DTXSID80227692;MFCD07777099;AKOS023427851;AS-60989;2-Ethynyl-1,3,5-trimethylbenzene, 96%;CS-0186635;E1361;FT-0691415;T72925;EN300-1853960

Chemical Property of 2,4,6-Trimethylphenylacetylene

Chemical Property:

• Vapor Pressure: 0.242mmHg at 25°C
• Melting Point: 2.7-3.5 °C
• Refractive Index: n20/D1.547
• Boiling Point: 213.2°Cat760mmHg
• Flash Point: 72.1°C
• PSA: 0.00000
• Density: 0.92g/cm³
• LogP: 2.59310
• Storage Temp.: 2-8°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 144.093900383
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

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

2-Ethynyl-1,3,5-trimethylbenzene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)C#C)C

Technology Process of 2,4,6-Trimethylphenylacetylene

There total 20 articles about 2,4,6-Trimethylphenylacetylene 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: 99.0%

1,1-Dibrom-2-(2,4,6-trimethylphenyl)ethylen (77295-61-5) → 2-ethynyl-1,3,5-trimethylbenzene (769-26-6)

Guidance literature:

With n-butyllithium; In diethyl ether; hexane; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1002/ejoc.201300092

Reference yield: 81.0%

1-(1-chlorovinyl)-2',4',6'-trimethylbenzene (5312-67-4) → 2-ethynyl-1,3,5-trimethylbenzene (769-26-6)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide;

DOI:10.1021/jo01307a033

Reference yield: 74.0%

iodomesitylene (4028-63-1) + trimethylsilylacetylene (1066-54-2) → 2-ethynyl-1,3,5-trimethylbenzene (769-26-6) + 1,2-dimesitylethyne (5806-58-6)

Guidance literature:

iodomesitylene; trimethylsilylacetylene; With potassium carbonate; In methanol; acetonitrile; at 45 ℃;

iodomesitylene; In methanol; acetonitrile; at 45 ℃;

DOI:10.1016/j.catcom.2013.12.029

upstream raw materials:

1-(1-chlorovinyl)-2',4',6'-trimethylbenzene

2-(1,2-dibromo-ethyl)-1,3,5-trimethyl-benzene

2,4,6-Trimethylacetophenone

methanol

Downstream raw materials:

C₁₁H₁₃⁽¹⁺⁾

3-mesityl-1-[2-(phenylethynyl)phenyl]prop-2-yn-1-ol

C₃₇H₃₄O₅

5-mesityl-1-(4-tolyl)-1H-1,2,3-triazole

Refernces

• 1、 Konstandaras, Nicholas,Dunn, Michelle H.,Guerry, Max S.,Barnett, Christopher D.,Cole, Marcus L.,Harper, Jason B.. "The impact of cation structure upon the acidity of triazolium salts in dimethyl sulfoxide". supporting information. p. 66 - 75. Retrieved 2019/12/26.
• 2、 Mandali, Pavan Kumar,Chand, Dillip Kumar. "Palladium nanoparticles catalyzed Sonogashira reactions for the one-pot synthesis of symmetrical and unsymmetrical diarylacetylenes". . p. 40 - 44. Retrieved 2014/02/14.