6-Phenyldodecane

Base Information

• Chemical Name: 6-Phenyldodecane
• CAS No.: 2719-62-2
• Molecular Formula: C18H30
• Molecular Weight: 246.436
• European Community (EC) Number: 220-325-3
• DSSTox Substance ID: DTXSID70875106
• Nikkaji Number: J144.896J
• Wikidata: Q27147103
• Mol file: 2719-62-2.mol

Synonyms:6-PHENYLDODECANE;2719-62-2;Benzene, (1-pentylheptyl)-;dodecan-6-ylbenzene;Dodecane, 6-phenyl-;(dodecan-6-yl)benzene;(1-Pentylheptyl)benzene;EINECS 220-325-3;alpha-pentylheptylbenzene;(1-Pentylheptyl)-benzene;1-(dodecan-6-yl)benzene;(1-Pentylheptyl)benzene #;CHEBI:77516;DTXSID70875106;CAA71962;MFCD00093857;AKOS028108392;AS-58674;A929147;Q27147103

Chemical Property of 6-Phenyldodecane

Chemical Property:

• Vapor Pressure: 0.0005mmHg at 25°C
• Boiling Point: 323.3°Cat760mmHg
• Flash Point: 145.2°C
• PSA: 0.00000
• Density: 0.855g/cm³
• LogP: 6.32090
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 10
• Exact Mass: 246.234750957
• Heavy Atom Count: 18
• Complexity: 167

Purity/Quality:

97% ^*data from raw suppliers

Dodecan-6-ylbenzene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aromatic Hydrocarbons
• Canonical SMILES: CCCCCCC(CCCCC)C1=CC=CC=C1

Technology Process of 6-Phenyldodecane

There total 18 articles about 6-Phenyldodecane 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: 79.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 1-Bromopentane (110-53-2) + exo-2-bromonorbornane (2534-77-2,2566-14-5,13237-87-1,29342-65-2,67815-05-8,67815-06-9,67844-23-9,76420-01-4,130404-12-5) → 6-phenyldodecane (2719-62-2) + (1S,2R,4R)-2-(2-Phenyl-heptyl)-bicyclo[2.2.1]heptane

Guidance literature:

With bis(cyclopentadienyl)titanium dichloride; butyl magnesium bromide; In tetrahydrofuran; at 0 ℃; for 1h;

DOI:10.1021/ja982732l

Reference yield: 72.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 1-Bromopentane (110-53-2) → 6-phenyldodecane (2719-62-2)

Guidance literature:

With Cp₂TiCl₂ne dichloride; butyl magnesium bromide; In tetrahydrofuran; at 0 ℃; for 1h;

DOI:10.1021/ja982732l

Reference yield: 54.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 1-Bromopentane (110-53-2) + isopropyl bromide (75-26-3) → 3-Phenyl-2.5-dimethyl-hexan (17498-73-6) + 6-phenyldodecane (2719-62-2) + (1-isobutyl-hexyl)-benzene

Guidance literature:

With bis(cyclopentadienyl)titanium dichloride; butyl magnesium bromide; In tetrahydrofuran; at 0 ℃; for 1h;

DOI:10.1021/ja982732l

upstream raw materials:

6-bromo-dodecane

(+/-)-6-hydroxy-6-phenyl-dodecane

1-dodecylbromide

benzene

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