Benzylhexyl ether

Base Information

• Chemical Name: Benzylhexyl ether
• CAS No.: 61103-84-2
• Molecular Formula: C13H20O
• Molecular Weight: 192.301
• European Community (EC) Number: 667-099-6
• DSSTox Substance ID: DTXSID10393915
• Nikkaji Number: J345.093G
• Wikidata: Q82192968
• Mol file: 61103-84-2.mol

Synonyms:(hexyloxymethyl)benzene;Benzene,[(hexyloxy)methyl];benzyl hexyl ether;n-hexyl benzyl ether;benzyl n-hexyl ether;

Chemical Property of Benzylhexyl ether

Chemical Property:

• PSA: 9.23000
• LogP: 3.78350
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 192.151415257
• Heavy Atom Count: 14
• Complexity: 116

Purity/Quality:

BENZYL HEXYL ETHER Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCOCC1=CC=CC=C1

Technology Process of Benzylhexyl ether

There total 29 articles about Benzylhexyl ether 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: 98.0%

benzyl bromide (100-39-0) + hexan-1-ol (111-27-3) → benzyl hexyl ether (61103-84-2)

Guidance literature:

With iron(II) sulfate; at 110 ℃; for 12h;

DOI:10.1080/00397911003642674

Reference yield: 97.0%

(((6-iodohexyl)oxy)methyl)benzene (97510-97-9) → [(CH)2(N(2,6-iPr2C6H3))2]BH (915703-83-2) + benzyl hexyl ether (61103-84-2)

Guidance literature:

With lithium [1,3-bis(2,6-diisopropylphenyl)-2,3-dihydro-1H-1,3,2-diazaborol-2-yl]trihydroborate; In tetrahydrofuran-d8; at 60 ℃; for 28h;

DOI:10.1021/ja105277u

Reference yield: 88.0%

bromoethyl-2-benzyl ether (1462-37-9) + butyl magnesium bromide (693-04-9) → benzyl hexyl ether (61103-84-2)

Guidance literature:

With buta-1,3-diene; nickel dichloride; In tetrahydrofuran; at -78 - 0 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.tetlet.2009.07.094

upstream raw materials:

1-chloro-3-benzyloxypropane

propyllithium

benzyl chloride

hexan-1-ol

Downstream raw materials:

hexyl benzoate

benzyl bromide

benzyl chloride

benzaldehyde

Refernces

• 1、 Savela, Risto,Leino, Reko. "Synthesis of ethers from carbonyl compounds by reductive etherification catalyzed by iron(III) and silyl chloride". . p. 1749 - 1760. Retrieved 2015/06/16.
• 2、 Valerio, Viviana,Petkova, Desislava,Madelaine, Claire,Maulide, Nuno. "Direct room-temperature lactonisation of alcohols and ethers onto amides: An "amide strategy" for synthesis". supporting information. p. 2606 - 2610. Retrieved 2013/03/14.