3-Methyltridecane

Base Information

• Chemical Name: 3-Methyltridecane
• CAS No.: 6418-41-3
• Molecular Formula: C14H30
• Molecular Weight: 198.392
• Hs Code.: 2901100000
• DSSTox Substance ID: DTXSID70880750
• Nikkaji Number: J530.282J
• Wikidata: Q72491913
• Metabolomics Workbench ID: 5106
• Mol file: 6418-41-3.mol

Synonyms:3-Methyltridecane;6418-41-3;Tridecane, 3-methyl-;3-methyl-tridecane;Tridecane, 3-methyI-;DTXSID70880750;NLHRRMKILFRDGV-UHFFFAOYSA-N;LMFA11000408;AKOS006275657;FT-0636145

Chemical Property of 3-Methyltridecane

Chemical Property:

• Vapor Pressure: 0.0376mmHg at 25°C
• Melting Point: -37.5°C
• Refractive Index: 1.4292
• Boiling Point: 249℃
• Flash Point: 81℃
• PSA: 0.00000
• Density: 0.763
• 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: 96.2

Purity/Quality:

99% ^*data from raw suppliers

3-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: CCCCCCCCCCC(C)CC

Technology Process of 3-Methyltridecane

There total 3 articles about 3-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: 20.0%

1-bromo dodecane (112-29-8) + sec-butylmagnesium bromide (671795-46-3) → decane (124-18-5) + 3-methyl-tridecane (6418-41-3) + 1-Decene (872-05-9,17438-89-0,25189-70-2)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; cobalt(II) chloride; lithium iodide; In tetrahydrofuran; at 10 ℃; for 1h; chemoselective reaction; Reactivity; Inert atmosphere;

DOI:10.1002/adsc.200800166

Reference yield:

tallow oil + decalin (91-17-8) → 2-methyl-8-propyl-dodecane (55045-07-3) + 2,6-dimethyl-hexadecane + cis-decahydronaphthalene + trans-decalin + naphthalene (91-20-3,71998-51-1,72931-45-4) + tetralin (119-64-2) + octane (111-65-9) + nonane (111-84-2) + decane (124-18-5) + dodecane (112-40-3) + pentadecane (629-62-9) + icosane (112-95-8) + n-docosane (629-97-0) + n-hexacosane (630-01-3) + methane (34557-54-5,27936-85-2) + n-heptane (142-82-5) + Tridecane (629-50-5) + isotridecane (1560-97-0) + tetradecane (629-59-4) + 3-methyl-tridecane (6418-41-3) + 2-methyltridecane (1560-96-9) + 3-methyltetradecane (18435-22-8) + isopentadecane (1560-95-8) + 3-methylpentadecane (2882-96-4) + Hexadecane (544-76-3) + hepatdecane (629-78-7) + 3-methylhexadecane (6418-43-5) + 2-methyl-hexadecane (1560-92-5) + octadecane (593-45-3) + n-nonadecane (629-92-5) + 2-methyl-eicosane (1560-84-5) + n-tricosane (638-67-5) + tetracosane (646-31-1) + n-pentacosane (629-99-2) + norpristane (3892-00-0)

Guidance literature:

With Dimethyldisulphide; hydrogen; cobalt-molybdenum on alumina; at 363 ℃; for 120h; under 23252.3 Torr; Product distribution / selectivity;

Reference yield:

tallow oil + decalin (91-17-8) → cis-decahydronaphthalene + trans-decalin + naphthalene (91-20-3,71998-51-1,72931-45-4) + tetralin (119-64-2) + octane (111-65-9) + nonane (111-84-2) + dodecane (112-40-3) + pentadecane (629-62-9) + icosane (112-95-8) + n-docosane (629-97-0) + methane (34557-54-5,27936-85-2) + n-heptane (142-82-5) + Tridecane (629-50-5) + isotridecane (1560-97-0) + tetradecane (629-59-4) + 3-methyl-tridecane (6418-41-3) + 2-methyltridecane (1560-96-9) + 3-methyltetradecane (18435-22-8) + isopentadecane (1560-95-8) + 3-methylpentadecane (2882-96-4) + 2-methylpentadecane (1560-93-6) + Hexadecane (544-76-3) + hepatdecane (629-78-7) + 3-methylhexadecane (6418-43-5) + 2-methyl-hexadecane (1560-92-5) + octadecane (593-45-3) + 3-methyl-heptadecane (6418-44-6) + 2-methylheptadecane (1560-89-0) + n-nonadecane (629-92-5) + phytane (638-36-8) + 2-methyl-eicosane (1560-84-5) + n-tricosane (638-67-5) + octadec-1-ene (112-88-9) + n-undecylcyclohexane (54105-66-7) + 1,3,5-trimethylcyclohexane (1839-63-0) + bicyclopentyl (1636-39-1) + decahydro-2-methyl naphthalene (2958-76-1)

Guidance literature:

With Dimethyldisulphide; hydrogen; cobalt-molybdenum on alumina; at 363 ℃; for 120h; under 75757.6 Torr; Product distribution / selectivity;

upstream raw materials:

decalin

1-bromo dodecane

sec-butylmagnesium bromide

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