2,2,4,9,11,11-Hexamethyldodecane

Base Information

• Chemical Name: 2,2,4,9,11,11-Hexamethyldodecane
• CAS No.: 6304-50-3
• Molecular Formula: C18H38
• Molecular Weight: 254.4943
• Hs Code.: 2901100000
• NSC Number: 42965
• DSSTox Substance ID: DTXSID00285830
• Nikkaji Number: J103.569J
• Mol file: 6304-50-3.mol

Synonyms:2,2,4,9,11,11-Hexamethyldodecane;6304-50-3;Dodecane, 2,2,4,9,11,11-hexamethyl-;NSC42965;DTXSID00285830;2,4,9,11,11-Hexamethyldodecane;NSC-42965;Dodecane,2,4,9,11,11-hexamethyl-;2,2,4,9,11,11-hexamethyl-dodecane

Chemical Property of 2,2,4,9,11,11-Hexamethyldodecane

Chemical Property:

• Vapor Pressure: 0.00492mmHg at 25°C
• Boiling Point: 285.1°Cat760mmHg
• Flash Point: 128.1°C
• PSA: 0.00000
• Density: 0.779g/cm³
• LogP: 6.69140
• XLogP3: 8.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 254.297351212
• Heavy Atom Count: 18
• Complexity: 177

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCCC(C)CC(C)(C)C)CC(C)(C)C

Technology Process of 2,2,4,9,11,11-Hexamethyldodecane

There total 4 articles about 2,2,4,9,11,11-Hexamethyldodecane 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:

2,2,4,9,11,11-hexamethyl-dodeca-4,8-diene → 2,2,4,9,11,11-Hexamethyl-dodecan (6304-50-3)

Guidance literature:

With ethanol; platinum; Hydrogenation;

DOI:10.1021/jo01375a007

Reference yield:

isoprene (78-79-5,9003-31-0) → 2,2,4,9,11,11-Hexamethyl-dodecan (6304-50-3)

Guidance literature:

Multi-step reaction with 2 steps

1: magnesium; diethyl ether

2: platinum; ethanol / Hydrogenation

With diethyl ether; ethanol; magnesium; platinum;

DOI:10.1021/jo01375a007

Reference yield:

→ 2,2,4,9,11,11-Hexamethyl-dodecan (6304-50-3)

Guidance literature:

With silver(I) bromide; diethyl ether;

DOI:10.1039/jr9510002064

upstream raw materials:

isoprene

Refernces

458. The synthesis and reactions of branched-chain hydrocarbons. Part I. Hydrocarbons with the 3 : 5 : 5-trimethylhexyl group

10.1039/jr9510002064

The study investigates methods for synthesizing and analyzing the reactions of branched-chain hydrocarbons with a regular pattern of quaternary carbon atoms. Key chemicals involved include 1-chloro-3:5:5-trimethylhexane, which is used to prepare Grignard compounds essential for further reactions. The study describes the synthesis of complex hydrocarbons such as 2:2:4:7:10:12:12-heptamethyltridecan-7-ol and 2:2:4:10:12:12-hexamethyl-7-(3:5:5-trimethylhexyl)tridecan-7-ol through reactions involving esters like ethyl acetate. These alcohols are then dehydrated to form olefins, whose structures are confirmed via ozonolysis. Other chemicals like silver bromide are used to produce 2:2:4:9:11:11-hexamethyldodecane. The study aims to explore the potential and limitations of using alkylmagnesium halides in synthesizing these hydrocarbons, providing detailed experimental procedures and characterizations of the synthesized compounds.