2-Phenyldodecane

Base Information

• Chemical Name: 2-Phenyldodecane
• CAS No.: 2719-61-1
• Molecular Formula: C18H30
• Molecular Weight: 246.436
• DSSTox Substance ID: DTXSID50875104
• Nikkaji Number: J144.900A
• Wikidata: Q82856423
• Mol file: 2719-61-1.mol

Synonyms:2-PHENYLDODECANE;Benzene, (1-methylundecyl)-;2719-61-1;Dodecane, 2-phenyl-;Benzene,(1-methylundecyl)-;(Dodecan-2-yl)benzene;dodecan-2-ylbenzene;2-phenyl dodecane;(1-Methylundecyl)benzene;(1-Methylundecyl)benzene #;DTXSID50875104

Chemical Property of 2-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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Phenyldodecane

There total 24 articles about 2-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: 82.0%

2-bromododecane (13187-99-0) + phenylboronic acid (98-80-6) → 2-phenyldodecane (2719-61-1,53570-72-2)

Guidance literature:

With potassium phosphate; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; bis(N-methylimidazol-2-yl)methane; In N,N-dimethyl acetamide; at 80 ℃; for 2h;

Reference yield: 34.0%

2-bromododecane (13187-99-0) + phenylmagnesium bromide (100-58-3) → dodecane (112-40-3) + 1-dodecene (112-41-4,25067-08-7,62132-67-6) + dodec-2-ene (1652-96-6) + 2-phenyldodecane (2719-61-1,53570-72-2)

Guidance literature:

phenylmagnesium bromide; With vanadium(III) chloride; In tetrahydrofuran; at 20 ℃; for 0.333333h;

2-bromododecane; In tetrahydrofuran; at 25 ℃; for 1h;

DOI:10.1246/bcsj.81.287

Reference yield:

1-chlorododecane (112-52-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1-dodecylbenzene (123-01-3) + 6-phenyldodecane (2719-62-2) + 2-phenyldodecane (2719-61-1,53570-72-2) + (1-butyloctyl)benzene (2719-63-3) + 3-phenyldodecane (2400-00-2) + 4-phenyldodecane (2719-64-4)

Guidance literature:

With 1-butyl-iso-quinolinium hydrogen sulfate; iron(III) chloride; at 60 ℃; for 0.833333h; under 2250.23 Torr; Temperature; Reagent/catalyst; Autoclave; Inert atmosphere;

upstream raw materials:

(+/-)-2-hydroxy-2-phenyl-dodecane

1-dodecene

benzene

1-dodecyl alcohol

Downstream raw materials:

4-(1-methyl-undecyl)-benzophenone

4-(2-dodecyl)benzene sulfonate sodium salt

Refernces

• 1、 Lenneman,Hites,Komarewsky. "-". . p. 463,468. Retrieved 1954.
• 2、 Han, Minghan,Li, Ruimin,Xing, Shiyong,Zhang, Shuai. "Effect of surface silicon modification of H-beta zeolites for alkylation of benzene with 1-dodecene". . p. 10006 - 10016. Retrieved 2020/03/23.
• 3、 -. "A process for preparing long-chain alkyl benzene (by machine translation)". Paragraph 0071-0079; 0094-0097. . Retrieved 2019/05/16.