Benzene, 1-(2-propenyloxy)-4-(1,1,3,3-tetramethylbutyl)-

Base Information

• Chemical Name: Benzene, 1-(2-propenyloxy)-4-(1,1,3,3-tetramethylbutyl)-
• CAS No.: 61103-72-8
• Molecular Formula: C17H26O
• Molecular Weight: 246.393
• DSSTox Substance ID: DTXSID30402331
• Wikidata: Q82205730
• ChEMBL ID: CHEMBL1795391

Synonyms:61103-72-8;Benzene, 1-(2-propenyloxy)-4-(1,1,3,3-tetramethylbutyl)-;CHEMBL1795391;DTXSID30402331;AKOS024323997;1-(allyloxy)-4-(1,1,3,3-tetramethylbutyl)benzene

Chemical Property of Benzene, 1-(2-propenyloxy)-4-(1,1,3,3-tetramethylbutyl)-

Chemical Property:

• PSA: 9.23000
• LogP: 4.96520
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 246.198365449
• Heavy Atom Count: 18
• Complexity: 251

Purity/Quality:

ALLYL 4-TERT-OCTYLPHENYL ETHER Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC=C

Technology Process of Benzene, 1-(2-propenyloxy)-4-(1,1,3,3-tetramethylbutyl)-

There total 4 articles about Benzene, 1-(2-propenyloxy)-4-(1,1,3,3-tetramethylbutyl)- 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: 92.0%

tert-octylphenol (140-66-9) + allyl bromide (106-95-6) → 1-allyloxy-4-(2,4,4-trimethylpentan-2-yl)benzene (61103-72-8)

Guidance literature:

tert-octylphenol; With potassium carbonate; potassium iodide; In acetone; for 1h; Inert atmosphere; Reflux;

allyl bromide; In acetone; for 40h; Reflux;

DOI:10.3762/bjoc.10.61

Reference yield:

1,1,3,3-tetramethylbutylphenolate sodium (59388-61-3) + allyl bromide (106-95-6) → 1-allyloxy-4-(2,4,4-trimethylpentan-2-yl)benzene (61103-72-8)

Guidance literature:

With diethyl ether;

DOI:10.1021/ja01520a030

Reference yield:

allyl bromide (106-95-6) → 1-allyloxy-4-(2,4,4-trimethylpentan-2-yl)benzene (61103-72-8) + 2-Allyl-4-(1,1,3,3-tetramethyl-butyl)-phenol (111560-65-7)

Guidance literature:

With diethyl ether;

DOI:10.1021/ja01520a030

upstream raw materials:

1,2-dimethoxyethane

diethyl ether

tert-octylphenol

allyl bromide

Downstream raw materials:

1,2,3,4,7,7-Hexachloro-5-[4-(1,1,3,3-tetramethyl-butyl)-phenoxymethyl]-bicyclo[2.2.1]hept-2-ene

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