Benzene, 2-ethynyl-1,3,5-tris(1-methylethyl)-

Base Information

• Chemical Name: Benzene, 2-ethynyl-1,3,5-tris(1-methylethyl)-
• CAS No.: 94804-13-4
• Molecular Formula: C17H24
• Molecular Weight: 228.378
• Mol file: 94804-13-4.mol

Synonyms:Benzene,2-ethynyl-1,3,5-tris(1-methylethyl);2,4,6-triisopropylphenylacetylene;1-ethynyl-2,4,6-triisopropylbenzene;(2,4,6-Triisopropyl-phenyl)-acetylen;

Chemical Property of Benzene, 2-ethynyl-1,3,5-tris(1-methylethyl)-

Chemical Property:

• PSA: 0.00000
• LogP: 5.03810

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Benzene, 2-ethynyl-1,3,5-tris(1-methylethyl)-

There total 6 articles about Benzene, 2-ethynyl-1,3,5-tris(1-methylethyl)- 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: 73.0%

carbon tetrabromide (558-13-4) + 2,4,6-triisopropylbenzaldehyde (24249-82-9) → 2-ethynyl-1,3,5-tri(propan-2-yl)benzene (94804-13-4)

Guidance literature:

carbon tetrabromide; 2,4,6-triisopropylbenzaldehyde; With triphenylphosphine; In dichloromethane; at 0 - 20 ℃;

With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h;

DOI:10.1016/j.molcata.2016.09.006

Reference yield: 69.0%

2,4,6-triisopropylphenylpropiolic acid → 2-ethynyl-1,3,5-tri(propan-2-yl)benzene (94804-13-4)

Guidance literature:

at 210 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1002/anie.201604762

Reference yield:

2,4,6-triisopropyl-1-bromobenzene (21524-34-5) → 2-ethynyl-1,3,5-tri(propan-2-yl)benzene (94804-13-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / tetrahydrofuran; hexane / 0.67 h / -78 °C

1.2: 0.25 h / -78 - -10 °C

2.1: triphenylphosphine / dichloromethane / 0 - 20 °C

2.2: 1 h / -78 - 20 °C

With n-butyllithium; triphenylphosphine; In tetrahydrofuran; hexane; dichloromethane;

DOI:10.1016/j.molcata.2016.09.006

upstream raw materials:

carbon tetrabromide

2,4,6-triisopropylbenzaldehyde

1-iodo-2,4,6-triisopropylbenzene

2,4,6-triisopropyl-1-bromobenzene

Downstream raw materials:

1-(2,4,6-triisopropylphenyl)ethanone

C₂₉H₄₀