1-Phenyleicosane

Base Information

• Chemical Name: 1-Phenyleicosane
• CAS No.: 2398-68-7
• Molecular Formula: C26H46
• Molecular Weight: 358.651
• Hs Code.: 2902909090
• European Community (EC) Number: 634-990-6
• NSC Number: 123363
• DSSTox Substance ID: DTXSID50178703
• Nikkaji Number: J114.033G
• Wikidata: Q83049175
• Mol file: 2398-68-7.mol

Synonyms:1-PHENYLEICOSANE;Benzene, eicosyl-;Eicosane, 1-phenyl-;2398-68-7;n-Eicosylbenzene;Icosylbenzene;Icosylbenzene #;1-phenyl-eicosane;NSC123363;DTXSID50178703;NSC 123363;NSC-123363

Chemical Property of 1-Phenyleicosane

Chemical Property:

• Vapor Pressure: 3.62E-07mmHg at 25°C
• Melting Point: 40-43 °C
• Refractive Index: 1.4805
• Boiling Point: 429.1°Cat760mmHg
• Flash Point: 196.9°C
• PSA: 0.00000
• Density: 0.855g/cm³
• LogP: 9.27080
• XLogP3: 13.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 19
• Exact Mass: 358.359951467
• Heavy Atom Count: 26
• Complexity: 251

Purity/Quality:

99%, ^*data from raw suppliers

EICOSYLBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-41-37/38
• Safety Statements: 26-36-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCC1=CC=CC=C1

Technology Process of 1-Phenyleicosane

There total 6 articles about 1-Phenyleicosane 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: 82.0%

bromo-bis(N,N-bistrimethylsilylamino)eicosyltin + iodobenzene (591-50-4) → eicosylbenzene (2398-68-7)

Guidance literature:

With tetrabutyl ammonium fluoride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In 1,4-dioxane; at 101 ℃; for 1h;

DOI:10.1021/jo047907q

Reference yield: 69.0%

1-Bromoeicosane (4276-49-7) + phenyllithium (591-51-5) → eicosylbenzene (2398-68-7)

Guidance literature:

With copper(I) bromide dimethylsulfide complex; In diethyl ether; cyclohexane; for 24h; Ambient temperature;

DOI:10.1055/s-1999-3498

Reference yield:

→ eicosylbenzene (2398-68-7)

Guidance literature:

With hydrogenchloride; amalgamated zinc; toluene; Einleiten von HCl;

DOI:10.1021/ja01225a004

upstream raw materials:

benzaldehyde

1-Bromoeicosane

phenyllithium

iodobenzene

Downstream raw materials:

C₅₂H₉₀S₂

4-Eicosylbenzenesulfonyl chloride

1-cyclohexyleicosane

Refernces

• 1、 Buckel, Frank,Persson, Per,Effenberger, Franz. "Synthesis of functionalized long-chain thiols and thiophenols for the formation of self-assembled monolayers on gold". . p. 953 - 958. Retrieved 2007/10/03.