2-Cyclohexyleicosane

Base Information

• Chemical Name: 2-Cyclohexyleicosane
• CAS No.: 4443-56-5
• Molecular Formula: C26H52
• Molecular Weight: 364.699
• Hs Code.: 2902199090
• NSC Number: 163589
• DSSTox Substance ID: DTXSID60303928
• Nikkaji Number: J129.616G
• Mol file: 4443-56-5.mol

Synonyms:2-Cyclohexyleicosane;Eicosane, 2-cyclohexyl-;4443-56-5;icosan-2-ylcyclohexane;NSC163589;eicosan-2-ylcyclohexane;(1-Methylnonadecyl)cyclohexane #;DTXSID60303928;JKGLILLLSMITKV-UHFFFAOYSA-N;Cyclohexane, (1-methylnonadecyl)-;NSC-163589;A826814

Chemical Property of 2-Cyclohexyleicosane

Chemical Property:

• Vapor Pressure: 1.02E-07mmHg at 25°C
• Melting Point: 22.36°C (estimate)
• Refractive Index: 1.4496 (estimate)
• Boiling Point: 445.6°Cat760mmHg
• Flash Point: 215°C
• PSA: 0.00000
• Density: 0.83g/cm³
• LogP: 9.85440
• XLogP3: 13.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 18
• Exact Mass: 364.406901659
• Heavy Atom Count: 26
• Complexity: 263

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCC(C)C1CCCCC1

Technology Process of 2-Cyclohexyleicosane

There total 4 articles about 2-Cyclohexyleicosane 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: 99.0%

(1-methyl-nonadecylidene)-cyclohexane → 2-cyclohexyl-eicosane (4443-56-5)

Guidance literature:

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

DOI:10.1021/ol050292e

Reference yield:

nonadec-1-ene (18435-45-5) → 2-cyclohexyl-eicosane (4443-56-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: AIBN; diethyl thiophosphite / tetrahydrofuran / Heating

1.2: s-BuLi / tetrahydrofuran; cyclohexane / -78 - 20 °C

1.3: 47 percent / s-BuLi / tetrahydrofuran; cyclohexane / -78 - 20 °C

2.1: 99 percent / H₂ / Pd/C / petroleum ether; ethyl acetate

With 2,2'-azobis(isobutyronitrile); Thiophosphorsaeure-O,O-diethylester; hydrogen; palladium on activated charcoal; In tetrahydrofuran; ethyl acetate; Petroleum ether; 1.3: Horner-Wadsworth-Emmons reaction;

DOI:10.1021/ol050292e

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 2-cyclohexyl-eicosane (4443-56-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: AIBN; diethyl thiophosphite / tetrahydrofuran / Heating

1.2: s-BuLi / tetrahydrofuran; cyclohexane / -78 - 20 °C

1.3: 47 percent / s-BuLi / tetrahydrofuran; cyclohexane / -78 - 20 °C

2.1: 99 percent / H₂ / Pd/C / petroleum ether; ethyl acetate

With 2,2'-azobis(isobutyronitrile); Thiophosphorsaeure-O,O-diethylester; hydrogen; palladium on activated charcoal; In tetrahydrofuran; ethyl acetate; Petroleum ether; 1.3: Horner-Wadsworth-Emmons reaction;

DOI:10.1021/ol050292e

upstream raw materials:

1-octadecylmagnesium bromide

acetophenone

nonadec-1-ene

cyclohexanone

Refernces