3-Methylundecane

Base Information

• Chemical Name: 3-Methylundecane
• CAS No.: 1002-43-3
• Molecular Formula: C12H26
• Molecular Weight: 170.338
• Hs Code.: 2901100000
• European Community (EC) Number: 678-596-2
• DSSTox Substance ID: DTXSID40862508
• Nikkaji Number: J124.861H
• Metabolomics Workbench ID: 5108
• Mol file: 1002-43-3.mol

Synonyms:3-METHYLUNDECANE;1002-43-3;Undecane, 3-methyl-;1-Butyl-3-ethylimidazolium 1,1,2,2-tetrafluoroethanesulfonate, >98%;Nonane, ethylmethyl-;2-Ethyl-decane;Undecane,3-methyl-;DTXSID40862508;HTZWVZNRDDOFEI-UHFFFAOYSA-N;LMFA11000410;E83727

Chemical Property of 3-Methylundecane

Chemical Property:

• Melting Point: -58°C
• Refractive Index: 1.4208
• Boiling Point: 210.8 °C at 760 mmHg
• Flash Point: 61.8 °C
• PSA: 0.00000
• Density: 0.75 g/cm³
• LogP: 4.78310
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 170.203450829
• Heavy Atom Count: 12
• Complexity: 76.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

Guanosine-2' ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Saturated (>C11)
• Canonical SMILES: CCCCCCCCC(C)CC

Technology Process of 3-Methylundecane

There total 7 articles about 3-Methylundecane 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-butyl iodide (513-48-4,52152-71-3) + n-octylmagnesium chloride (38841-98-4) → 3-methylundecane (1002-43-3) + Hexadecane (544-76-3)

Guidance literature:

With NiCl(2,4-lutidine)(Me₂NC₆H₄NPh); In tetrahydrofuran; N,N-dimethyl acetamide; at -20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ja200270k

Reference yield:

dodecane (112-40-3) → 3-methylundecane (1002-43-3) + 2-methylundecane (7045-71-8)

Guidance literature:

With hydrogen; at 370 ℃; for 20h; under 15001.5 Torr; Flow reactor;

DOI:10.1016/j.jcat.2015.12.009

Reference yield:

dodecane (112-40-3) → 3-methylundecane (1002-43-3) + 5-methylundecane (1632-70-8) + 4-methyl undecane (2980-69-0) + 2-methylundecane (7045-71-8)

Guidance literature:

With hydrogen; at 290 ℃; for 20h; under 15001.5 Torr; Reagent/catalyst; Flow reactor;

DOI:10.1016/j.jcat.2015.12.009

upstream raw materials:

1-Decene

diethylmagnesium

2-butyl iodide

n-octylmagnesium chloride

Refernces

• 1、 Makio, Haruyuki,Ochiai, Takashi,Mohri, Jun-Ichi,Takeda, Kouji,Shimazaki, Toshiyuki,Usui, Yoko,Matsuura, Sadahiko,Fujita, Terunori. "Synthesis of telechelic olefin polymers via catalyzed chain growth on multinuclear alkylene zinc compounds". . p. 8177 - 8180. Retrieved 2013.
• 2、 Ren, Peng,Vechorkin, Oleg,Von Allmen, Kim,Scopelliti, Rosario,Hu, Xile. "A structure-activity study of Ni-catalyzed alkyl-alkyl kumada coupling. Improved catalysts for coupling of secondary alkyl halides". supporting information; experimental part. p. 7084 - 7095. Retrieved 2011/06/26.