2-Phenyldecane

Base Information

• Chemical Name: 2-Phenyldecane
• CAS No.: 4537-13-7
• Molecular Formula: C16H26
• Molecular Weight: 218.382
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID10874870
• Nikkaji Number: J144.890K
• Mol file: 4537-13-7.mol

Synonyms:2-Phenyldecane;4537-13-7;decan-2-ylbenzene;(2-Decyl)benzene;Benzene, (1-methylnonyl)-;Decane, 2-phenyl-;(1-METHYLNONYL)BENZENE;(decan-2-yl)benzene;starbld0007711;(1-Methylnonyl)benzene #;DTXSID10874870;Decane, 2-phenyl- (6CI,7CI,8CI);(1-Methylnonyl)benzene

Chemical Property of 2-Phenyldecane

Chemical Property:

• Vapor Pressure: 0.00389mmHg at 25°C
• Melting Point: -0.5°C
• Refractive Index: 1.483
• Boiling Point: 289.1°Cat760mmHg
• Flash Point: 123.2°C
• PSA: 0.00000
• Density: 0.856g/cm³
• LogP: 5.54070
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly), THF, Ethyl Acetate, DMF
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 218.203450829
• Heavy Atom Count: 16
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

(2-Decyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(C)C1=CC=CC=C1
• Uses: (2-Decyl)benzene is a linear alkylbenzene used to synthesize aryl olefins.

Technology Process of 2-Phenyldecane

There total 23 articles about 2-Phenyldecane 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: 84.8%

2-phenyl-3-decene → 2-phenyldecane (4537-13-7)

Guidance literature:

With palladium on activated charcoal; hydrogen; In acetic acid; at 20 ℃; under 3102.97 Torr; Inert atmosphere; Schlenk technique;

Reference yield: 84.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 1-octyl p-toluenesulfonate (3386-35-4) → 2-phenyldecane (4537-13-7)

Guidance literature:

With zirconocene dichloride; butyl magnesium bromide; In tetrahydrofuran; at 55 ℃; for 4h;

DOI:10.1021/ja000693j

Reference yield: 55.0%

iodobenzene (591-50-4) + 1-Decene (872-05-9,17438-89-0,25189-70-2) → 2-phenyldecane (4537-13-7)

Guidance literature:

With phenyl[(propan-2-yl)oxy]silane; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; (R,R)-(-)-N,N’-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II); 4,4'-di-tert-butyl-2,2'-bipyridine nickel(II) bromide; 1-fluoro-2,4,6-trimethylpyridin-1-ium tetrafluoroborate; at 22 ℃; regioselective reaction; Inert atmosphere;

DOI:10.1021/jacs.6b08507

upstream raw materials:

1-Decene

benzene

octylmagnesium bromide

acetophenone

Downstream raw materials:

(1-ethyloctyl)benzene

racem.-1,4-Di--benzol

Refernces

• 1、 Chesnokov,Chichkan,Paukshtis,Chesalov, Yu. A.,Krasnov. "Hexadecane Conversion on an Alumina–Nickel Catalyst". . p. 439 - 445. Retrieved 2019/09/04.
• 2、 -. "PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS". . . Retrieved 2015/09/28.