2,2,4,6,6-Pentamethylhept-3-ene

Base Information

• Chemical Name: 2,2,4,6,6-Pentamethylhept-3-ene
• CAS No.: 123-48-8
• Molecular Formula: C12H24
• Molecular Weight: 168.323
• Hs Code.: 2901299090
• European Community (EC) Number: 204-631-4
• DSSTox Substance ID: DTXSID3051628
• Mol file: 123-48-8.mol

Synonyms:2,2,4,6,6-Pentamethylhept-3-ene;DTXSID3051628;CID 31259;AKOS024332986;FT-0609104

Chemical Property of 2,2,4,6,6-Pentamethylhept-3-ene

Chemical Property:

• Vapor Pressure: 0.672mmHg at 25°C
• Melting Point: -38.4°C (estimate)
• Refractive Index: 1.435
• Boiling Point: 192.7°Cat760mmHg
• Flash Point: 47.1°C
• PSA: 0.00000
• Density: 0.764g/cm³
• LogP: 4.41500
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 168.187800766
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC(C)(C)C)CC(C)(C)C
• Uses: 2,2,4,6,6-Pentamethyl-3-heptene is used in preparation of Alkyl derivatives. Used in preparation of 2,4,4-Trimethyl-1-pentene.

Technology Process of 2,2,4,6,6-Pentamethylhept-3-ene

There total 9 articles about 2,2,4,6,6-Pentamethylhept-3-ene 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: 6.2%

methanol (67-56-1) + 4-chloro-2,2,4,6,6-pentamethylheptane (100386-42-3) → pentamethyl-2,2,4,6,6 heptene-3 (123-48-8) + 4-methoxy-2,2,4,6,6-pentamethyl-heptane

Guidance literature:

With 2,6-dimethylpyridine; at 25 ℃; Rate constant;

DOI:10.1021/jo970709x

Reference yield:

isobutene (115-11-7,15220-85-6) → 2,4,4-trimethyl-1-pentene (107-39-1) + 1,1-dineopentylethylene (141-70-8) + 2,4,4-trimethylpent-2-ene (107-40-4) + pentamethyl-2,2,4,6,6 heptene-3 (123-48-8)

Guidance literature:

With zeolite HNaY; at 100 ℃; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts; further temperatures, further zeolites;

DOI:10.1007/BF00956645

Reference yield:

isobutene (115-11-7,15220-85-6) → 2,4,4-trimethyl-1-pentene (107-39-1) + 1,1-dineopentylethylene (141-70-8) + 2,4,4-trimethylpent-2-ene (107-40-4) + 2,3,4-trimethyl-2-pentene (565-77-5) + 3,3,4-trimethyl-1-pentene (560-22-5) + pentamethyl-2,2,4,6,6 heptene-3 (123-48-8)

Guidance literature:

With aluminum oxide; air; rhenium(VII) oxide; at 150 ℃; Product distribution; oligomerization in different gases; further temperatures;;

DOI:10.1007/BF00954650

upstream raw materials:

2,2,4,6,6-pentamethyl-heptan-3-ol

isobutene

methanol

4-chloro-2,2,4,6,6-pentamethylheptane

Downstream raw materials:

4,4-dimethyl-pentan-2-one

(+/-)-2-tert-butyl-2,4,4-trimethyl-valeric acid

Trimethylacetic acid

dineopentyl ketone

Refernces

• 1、 Takeuchi, Ken'ichi,Takasuka, Masaaki,Shiba, Eiji,Tokunaga, Hironobu,Endo, Tadasuke,Ushino, Takuhiro,Tokunaga, Kazuhiko,Okazaki, Takao,Kinoshita, Tomomi,Ohga, Yasushi. "The Grunwald-Winstein relationship in the solvolysis of crowded tertiary alkyl chlorides. Hindered hydration and hydrophobic effect". . p. 229 - 238. Retrieved 2001.
• 2、 Minachev, Kh. M.,Bondarenko, T. N.,Kondrat'ev, D. A.. "ACTIVITY OF DIFFERENT STRUCTURAL TYPES OF ZEOLITES IN OLIGOMERIZATION OF C3-C4 OLEFINS". . p. 1128 - 1132. Retrieved 2007/10/02.