6117-97-1

Basic information

• Product Name: 4-METHYLDODECANE
• Synonyms: 4-METHYLDODECANE;dodecane,4-methyl-;methyldodecane;4-METHYLDODECANE 98+%
• CAS NO: 6117-97-1
• Molecular Formula: C₁₃H₂₈
• Molecular Weight: 184.36
• Mol File: 6117-97-1.mol
• Article Data: 4

Chemical Properties

• Melting Point: -28.13°C (estimate)
• Boiling Point: 102 °C / 14mmHg
• Flash Point: 70.6°C
• Appearance: /
• Density: 0.76
• Refractive Index: 1.4240-1.4280
• CAS DataBase Reference: 4-METHYLDODECANE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHYLDODECANE(6117-97-1)
• EPA Substance Registry System: 4-METHYLDODECANE(6117-97-1)

Safety Data

• Hazardous Substances Data: 6117-97-1(Hazardous Substances Data)

Usage

General Description

4-methyldodecane is a straight-chain alkane with the molecular formula C13H28. It is a colorless, flammable liquid with a boiling point of 234°C and a density of 0.753 g/mL. It is insoluble in water but soluble in organic solvents such as benzene and ether. 4-methyldodecane is commonly used in the production of lubricants, fuels, and as a solvent in chemical processes. It also has industrial applications in the manufacturing of plastics, textiles, and rubber products. The chemical's high boiling point and low volatility make it suitable for use in high-temperature applications. Additionally, 4-methyldodecane is used as a component in perfumes and fragrances due to its pleasant odor.

Upstream product

• 17049-49-9 octylmagnesium bromide 
• 107-87-9 2-Pentanone 
• 107-81-3 2-bromopentane 
• 111-66-0 oct-1-ene 
• 123-15-9 2-methylvaleraldehyde 

Relevant articles and documents

Effect of ligand modification on the reactivity of phosphinoamide-bridged heterobimetallic Zr/Co complexes

The effect of modifying the N-aryl substituent (aryl = mesityl vs. m-xylyl) of the phosphinoamide ligands linking Zr and Co in tris(phosphinoamide)-linked heterobimetallic complexes has been investigated. Treatment of the metalloligand (iPr2PNXyl)3ZrCl (2) (Xyl = m-xylyl) with CoI2 affords the iodide-bridged product ICo(iPr 2PNXyl)2(μ-I)Zr(η2-iPr2PNXyl) (3) rather than the C3-symmetric isomer observed using the N-mesityl derivative, ICo(iPr2PNMes)3ZrCl. Upon two-electron reduction of complex 3, ligand rearrangement occurs to generate the three-fold symmetric reduced complex N2Co(iPr 2PNXyl)3Zr(THF) (4). Comparison of 4 with the previously reported mesityl-substituted complex N2Co(iPr 2PNMes)3Zr(THF) (1) reveals similar structural features but with a less sterically hindered Zr apical site in complex 4. An obvious electronic difference between these two complexes is also present based on the drastically different infrared N2 stretching frequencies of 1 and 4. These notable differences lend themselves to different reactivity in both stoichiometric and catalytic reactions. Alkyl halide addition to complex 4 results in homo-coupling products resulting from alkyl radicals rather than the alkyl-bridged or intramolecular C-H activation products formed upon addition of RX to 1. This difference in reactivity with alkyl halides renders complex 3 a less effective catalyst for the Kumada cross-coupling of alkyl halides with n-octylMgBr than ICo(iPr2PNMes)3ZrCl, as a greater proportion of homocoupling products are formed under catalytic conditions.

Cobalt-catalyzed cross-coupling reaction between functionalized primary and secondary alkyl halides and aliphatic Grignard reagents

The coupling of primary and secondary unactivated alkyl bromides with alkyl-Grignard reagents was performed in good yields under mild conditions by using a new catalytic system: consisting of cobalt chloride and tetramethylethylenediamine (CoCl2·2 LiI, 4TMEDA). The reaction is very chemoselective since ketone, ester and nitrile functions are tolerated.