5-Phenylundecane

Base Information

• Chemical Name: 5-Phenylundecane
• CAS No.: 4537-15-9
• Molecular Formula: C17H28
• Molecular Weight: 232.409
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID40874984
• Nikkaji Number: J144.892G
• Wikidata: Q27147092
• Mol file: 4537-15-9.mol

Synonyms:5-Phenylundecane;4537-15-9;undecan-5-ylbenzene;Benzene, (1-butylheptyl)-;Undecane, 5-phenyl-;Benzene,(1-butylheptyl)-;(1-Butylheptyl)-benzene;(1-BUTYLHEPTYL)BENZENE;1-Butylheptylbenzene;alpha-butylheptylbenzene;(Undecan-5-yl)benzene;(1-Butylheptyl)benzene #;CHEBI:77513;DTXSID40874984;Q27147092

Chemical Property of 5-Phenylundecane

Chemical Property:

• Vapor Pressure: 0.00139mmHg at 25°C
• Boiling Point: 306.5°Cat760mmHg
• Flash Point: 134.3°C
• PSA: 0.00000
• Density: 0.855g/cm³
• LogP: 5.93080
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 232.219100893
• Heavy Atom Count: 17
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Phenylundecane

There total 5 articles about 5-Phenylundecane 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: 74.0%

1-bromo-hexane (111-25-1) + (1-Methylselanyl-pentyl)-benzene (105824-42-8) → α-butylheptylbenzene (4537-15-9)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; -78 deg C, 0.5 hr. then -78 deg C to 20 deg C, 0.5 hr. (one pot);

DOI:10.1016/S0040-4039(00)84356-7

Reference yield:

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + chloro-trimethyl-silane (75-77-4) + 5-Phenylpentyllithium (81631-41-6) → pentylbenzene (538-68-1) + n-nonylbenzene (1081-77-2) + 1-butyl-1-phenylpentane (20216-88-0) + 1,10-diphenyldecane (35511-93-4) + α-butylheptylbenzene (4537-15-9) + C16H30OSi2 (81631-98-3)

Guidance literature:

for 0.25h; Mechanism; Product distribution; Heating;

Reference yield:

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2-phenyldecane (4537-13-7) + (1-butylhexyl)benzene (4537-11-5) + benzene, (1-pentylhexyl)- (4537-14-8) + 6-phenyldodecane (2719-62-2) + 2-phenyldodecane (2719-61-1,53570-72-2) + (1-hexylheptyl)benzene (2400-01-3) + (1-butyloctyl)benzene (2719-63-3) + 3-phenyldodecane (2400-00-2) + 4-phenyldodecane (2719-64-4) + (1-ethyloctyl)benzene (4621-36-7) + benzene, (1-propyloctyl)- (4536-86-1) + benzene, (1-ethylnonyl)- (4536-87-2) + α-methyldecylbenzene (4536-88-3) + benzene, (1-propyldecyl)- (4534-51-4) + benzene, (1-ethylundecyl)- (4534-52-5) + 1-propylheptylbenzene (4537-12-6) + benzene, (1-methyldodecyl)- (4534-53-6) + α-butylheptylbenzene (4537-15-9) + benzene, (1-pentyloctyl)- (4534-49-0) + benzene, (1-butylnonyl)- (4534-50-3)

Guidance literature:

With petroleum fraction obtained from the dehydrogenation of a kerosene; 40percent dealuminified Y zeolite, Si/Al ratio 45 in extrudate form; at 135 ℃; under 30003 Torr; Product distribution / selectivity;

upstream raw materials:

1-bromo-hexane

(1-Methylselanyl-pentyl)-benzene

tetrahydrofuran

chloro-trimethyl-silane

Refernces

• 1、 Clarembeau, M.,Krief, A.. "A NOVEL METHOD FOR THE GEMINAL DIALKYLATION OF THE CARBONYL GROUP OF AROMATIC ALDEHYDES AND KETONES". . p. 1719 - 1722. Retrieved 2007/10/02.