2-Methyltridecane

Base Information

• Chemical Name: 2-Methyltridecane
• CAS No.: 1560-96-9
• Molecular Formula: C14H30
• Molecular Weight: 198.392
• Hs Code.: 2901100000
• UNII: 6UNR6OUH0J
• DSSTox Substance ID: DTXSID30166027
• Nikkaji Number: J133.549I
• Wikipedia: 2-Methyltridecane
• Wikidata: Q27157639
• Mol file: 1560-96-9.mol

Synonyms:2-METHYLTRIDECANE;1560-96-9;Tridecane, 2-methyl-;UNII-6UNR6OUH0J;6UNR6OUH0J;2-methyl-tridecane;2-Methyl-n-tridecane;CHEBI:84277;DTXSID30166027;AKOS006283309;FT-0727222;Q27157639

Chemical Property of 2-Methyltridecane

Chemical Property:

• Vapor Pressure: 0.0455mmHg at 25°C
• Melting Point: -25°C
• Refractive Index: 1.4254
• Boiling Point: 245.2°Cat760mmHg
• Flash Point: 79.5°C
• PSA: 0.00000
• Density: 0.763g/cm³
• LogP: 5.56330
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 10
• Exact Mass: 198.234750957
• Heavy Atom Count: 14
• Complexity: 94.2

Purity/Quality:

99%, ^*data from raw suppliers

2-METHYLTRIDECANE 95.00% ^*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: CCCCCCCCCCCC(C)C

Technology Process of 2-Methyltridecane

There total 24 articles about 2-Methyltridecane 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: 93.0%

2-methyltridecan-4-ol (116436-15-8) → 2-methyltridecane (1560-96-9)

Guidance literature:

2-methyltridecan-4-ol; With sulfuric acid; at 130 ℃; for 0.0130556h;

With hydrogen; palladium on activated charcoal; In ethyl acetate;

DOI:10.1021/ol062777o

Reference yield: 71.0%

13-bromo-2-methyl-2-tridecanol (111772-86-2) → 12-methyl-1-bromotridecane (111772-90-8) + 2-methyltridecane (1560-96-9)

Guidance literature:

With hydrogen; nickel; palladium on activated charcoal; Yield given. Multistep reaction; 1.) toluene, reflux, 40 min, 2.) ethanol, ethylacetate, RT, 1 atm, 8 h;

DOI:10.1021/jo00237a041

Reference yield: 51.0%

2-methyl-2-tridecanol (32836-44-5) + diphenyl diselenide (1666-13-3) → 2-methyltridecane (1560-96-9) + 2-methyl-tridec-2-ene (62060-10-0) + 2-methyl-1-tridecene (18094-01-4) + (1,1-dimethyl-dodecylselanyl)-benzene

Guidance literature:

With lanthanum; chloro-trimethyl-silane; iodine; copper(l) iodide; In acetonitrile; at 82 ℃; for 1h;

DOI:10.1246/cl.2003.918

upstream raw materials:

methyl magnesium iodide

methyl n-dodecanoate

2-methyl-1-tridecene

1-bromo dodecane

Refernces

• 1、 Agata, Ryosuke,Kawamura, Shintaro,Isozaki, Katsuhiro,Nakamura, Masaharu. "Iron-catalyzed AlkylAlkyl negishi coupling of organoaluminum reagents". supporting information. p. 238 - 241. Retrieved 2019/03/13.
• 2、 Matsubara, Ryosuke,Shimada, Toshiyuki,Kobori, Yasuhiro,Yabuta, Tatsushi,Osakai, Toshiyuki,Hayashi, Masahiko. "Photoinduced Charge-Transfer State of 4-Carbazolyl-3-(trifluoromethyl)benzoic Acid: Photophysical Property and Application to Reduction of Carbon?Halogen Bonds as a Sensitizer". supporting information. p. 2006 - 2010. Retrieved 2016/07/28.