Tetradecane

Base Information

• Chemical Name: Tetradecane
• CAS No.: 629-59-4
• Molecular Formula: C14H30
• Molecular Weight: 198.392
• Hs Code.: 2901100000
• European Community (EC) Number: 211-096-0
• NSC Number: 72440
• UNII: 03LY784Y58
• DSSTox Substance ID: DTXSID1027267,DTXSID101022622
• Nikkaji Number: J2.095H
• Wikipedia: Tetradecane
• Wikidata: Q150808
• Metabolomics Workbench ID: 5281
• ChEMBL ID: CHEMBL135488
• Mol file: 629-59-4.mol

Synonyms:n-tetradecane;tetradecane

Chemical Property of Tetradecane

Chemical Property:

• Appearance/Colour: Colorless liquid
• Melting Point: 5.8 °C
• Refractive Index: n20/D 1.429(lit.)
• Boiling Point: 253.9 °C at 760 mmHg
• Flash Point: 99.4 °C
• PSA: 0.00000
• Density: 0.764 g/cm³
• LogP: 5.70740
• Water Solubility.: INSOLUBLE
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 11
• Exact Mass: 198.234750957
• Heavy Atom Count: 14
• Complexity: 74

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Safety Statements: S24/25:

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Saturated (>C11)
• Canonical SMILES: CCCCCCCCCCCCCC

Technology Process of Tetradecane

There total 181 articles about Tetradecane 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: 86.0%

1-bromo-hexane (111-25-1) + octylmagnesium bromide (17049-49-9) → tetradecane (629-59-4) + Hexadecane (544-76-3)

Guidance literature:

With silver(I) 4-methylbenzenesulfonate; ethylene dibromide; In tetrahydrofuran; at 20 ℃; for 30h;

DOI:10.1246/cl.2005.1152

Reference yield: 72.0%

15-(methoxycarbonyl)pentadecanoic acid (18451-85-9) + Octanoic acid (124-07-2) → tetradecane (629-59-4) + behenic acid methyl ester (929-77-1) + triacontanedioic acid dimethyl ester (24397-43-1)

Guidance literature:

With sodium methylate; In methanol; at 27 ℃; Electrochemical reaction; Pt anode; graphite cathode;

Reference yield:

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + oct-1-ene (111-66-0,25068-25-1) → tetradecane (629-59-4) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

oct-1-ene; With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; at 20 ℃; for 3h; Inert atmosphere;

benzoic acid methyl ester; With potassium tert-butylate; hydrogen; (2-aminoethyl)diphenylphosphane; In tetrahydrofuran; at 70 ℃; for 16h; under 37503.8 Torr; Reagent/catalyst; chemoselective reaction; Inert atmosphere;

DOI:10.1039/c7gc00192d

upstream raw materials:

1-Bromoheptane

n-chlorooctane

hexyl sodium

1,7-dibromoheptane

Downstream raw materials:

anthracene

14-hydroxytetradecanoic acid methyl ester

15-hydroxyhexadecanoic acid methyl ester

3,4-dihydro-1H-benzo[c][1,2]thiazine 2,2-dioxide

Refernces

• 1、 Albero, Josep,Du, Xiangze,García, Hermenegildo,Hu, Changwei,Li, Dan,Peng, Yong. "Synthetic Fuels from Biomass: Photocatalytic Hydrodecarboxylation of Octanoic Acid by Ni Nanoparticles Deposited on TiO2". . . Retrieved 2021/12/13.
• 2、 Fuchigami, Kei,Watson, Michael B.,Tran, Giang N.,Rath, Nigam P.,Mirica, Liviu M.. "Synthesis and Reactivity of (N2P2)Ni Complexes Stabilized by a Diphosphonite Pyridinophane Ligand". supporting information. p. 2283 - 2289. Retrieved 2021/05/06.