2-Methyldecane

Base Information

• Chemical Name: 2-Methyldecane
• CAS No.: 6975-98-0
• Molecular Formula: C11H24
• Molecular Weight: 156.312
• European Community (EC) Number: 230-236-1,292-459-0
• NSC Number: 20567
• DSSTox Substance ID: DTXSID2058677
• Nikkaji Number: J130.655C
• Wikidata: Q81976901
• Metabolomics Workbench ID: 48407
• Mol file: 6975-98-0.mol

Synonyms:2-METHYLDECANE;6975-98-0;Decane, 2-methyl-;90622-57-4;ISOUNDECANE;Isopar G;Isopar H;Dimethylnonane;Shellsol K;2-Methyl-Decane;Nonane, dimethyl-;67167-66-2;n-C8H17CH(CH3)2;EINECS 230-236-1;EINECS 292-459-0;NSC 20567;34464-43-2;91572-57-5;Isopar-G;NSC20567;Isoalcanos, C9-12;ISOPAR-H;DTXSID2058677;Decane, 2-methyl- (8CI)(9CI);MFCD00039994;NSC-20567;AKOS006271773;AS-30683;CS-0188412;FT-0636326

Chemical Property of 2-Methyldecane

Chemical Property:

• Melting Point: -48.84°C
• Refractive Index: 1.4131
• Boiling Point: 189.19°C
• Flash Point: 50.1oC
• PSA: 0.00000
• Density: 0.7331
• LogP: 4.39300
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 156.187800766
• Heavy Atom Count: 11
• Complexity: 64.4

Purity/Quality:

99.5% ^*data from raw suppliers

2-Methyldecane 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CCCCCCCCC(C)C
• Uses: 2-Methyldecane is a molecule of interest in the preparation of alkanes via Ni- or Cu-catalyzed cross-coupling alkylation. The synthetic preparation of 2-Methyldecane involves the reaction of alkyl halides with a Grignard reagent

Technology Process of 2-Methyldecane

There total 36 articles about 2-Methyldecane 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: 100.0%

2-methyl-2-decene (23381-92-2) → 2-methyldecane (6975-98-0)

Guidance literature:

With triethylsilane; perchloric acid; chloroform; at 20 ℃; for 0.5h;

DOI:10.1007/BF00951109

Reference yield: 94.0%

1-(2-furyl)-5-methylhex-1-en-3-one (4196-96-7) → 2-methyldecane (6975-98-0)

Guidance literature:

With palladium on activated carbon; hydrogen; acetic acid; europium(III) trifluoromethanesulfonate; In ethyl acetate; at 200 ℃; for 16h; under 30003 Torr; Reagent/catalyst; Solvent; Catalytic behavior; Autoclave; Green chemistry;

DOI:10.1016/j.apcata.2017.01.017

Reference yield: 84.0%

2-methyl-2-chlorodecane (4325-51-3) → 2-methyldecane (6975-98-0)

Guidance literature:

With triethylsilane; 2,6-bis(benzimidazole-2'-yl)pyridine; bis(1,5-cyclooctadiene)diiridium(I) dichloride; at 150 ℃; for 12h; Inert atmosphere;

DOI:10.1055/a-1527-4526

upstream raw materials:

octylmagnesium bromide

acetone

2-methyl-deca-2,3,4-triene

3-methanesulfonyloxy-2-methyl-1-phenylsulfanyl-decane

Refernces

• 1、 Fukuyama, Takahide,Hamada, Yuki,Ryu, Ilhyong. "A New Protocol for Catalytic Reduction of Alkyl Chlorides Using an Iridium/Bis(benzimidazol-2′-yl)pyridine Catalyst and Triethylsilane". . p. 3404 - 3408. Retrieved 2021/07/14.
• 2、 Keskiv?li, Juha,Wrigstedt, Pauli,Lagerblom, Kalle,Repo, Timo. "One-step Pd/C and Eu(OTf)3 catalyzed hydrodeoxygenation of branched C11 and C12 biomass-based furans to the corresponding alkanes". . p. 40 - 45. Retrieved 2017/02/05.