1-(4-Tert-butylphenyl)octan-1-one

Base Information

Chemical Name:1-(4-Tert-butylphenyl)octan-1-one
CAS No.:111829-14-2
Molecular Formula:C18H28O
Molecular Weight:260.42
Hs Code.:
DSSTox Substance ID:DTXSID80655870
Nikkaji Number:J3.254.989F
Wikidata:Q82570213
Mol file:111829-14-2.mol

Synonyms:1-(4-TERT-BUTYLPHENYL)OCTAN-1-ONE;111829-14-2;SCHEMBL14302682;DTXSID80655870;1-(4-tert-Butylphenyl)-1-octanone;1-(4-tert-Butyl-phenyl)-octan-1-one

Suppliers and Price of 1-(4-Tert-butylphenyl)octan-1-one

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-(4-Tert-butylphenyl)octan-1-one

Chemical Property:

XLogP3:6.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:8
Exact Mass:260.214015512
Heavy Atom Count:19
Complexity:253

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCC(=O)C1=CC=C(C=C1)C(C)(C)C

Technology Process of 1-(4-Tert-butylphenyl)octan-1-one

There total 4 articles about 1-(4-Tert-butylphenyl)octan-1-one 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: 77.0%

: 1-tert-butyl-4-octylbenzene

: 111829-14-2
1-(4-tert-butylphenyl)octan-1-one

Guidance literature:: With tert.-butylhydroperoxide; 4C₁₂H₂₅O₄S^(1-)*Fe₂O⁽⁴⁺⁾*10H₂O; In water; at 30 ℃; for 50h;
DOI:10.1246/cl.2008.1042

Reference yield: 59.0%

: 124-13-0
Octanal

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 1024039-09-5
2-(4-tert-butylphenyl)octanal

: 111829-14-2
1-(4-tert-butylphenyl)octan-1-one

Guidance literature:: With [1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene]chloro(allyl)palladium; potassium tert-butylate; In 1,4-dioxane; at 100 ℃; for 22h; Glovebox; Schlenk technique; Inert atmosphere;
DOI:10.1002/asia.201300724

Reference yield: 59.0%

: C₁₁H₁₃F₃O₃SZn

: 111-64-8
n-octanoic acid chloride

: 111829-14-2
1-(4-tert-butylphenyl)octan-1-one

Guidance literature:: C₁₁H₁₃F₃O₃SZn; With copper(l) cyanide; lithium chloride; In tetrahydrofuran; at -20 ℃; for 3h; Inert atmosphere; Schlenk technique;

n-octanoic acid chloride; In tetrahydrofuran; at -20 - 20 ℃; for 20h; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.orglett.0c03782