Acetaldehyde, [4-(1,1-dimethylethyl)phenoxy]-

Base Information

Chemical Name:Acetaldehyde, [4-(1,1-dimethylethyl)phenoxy]-
CAS No.:72928-50-8
Molecular Formula:C12H16 O2
Molecular Weight:192.258
Hs Code.:2912499000
European Community (EC) Number:277-080-0
DSSTox Substance ID:DTXSID7072672
Nikkaji Number:J133.198A
Wikidata:Q82000839
Mol file:72928-50-8.mol

Synonyms:72928-50-8;(p-tert-Butylphenoxy)acetaldehyde;(4-tert-butylphenoxy)acetaldehyde;EINECS 277-080-0;Acetaldehyde, [4-(1,1-dimethylethyl)phenoxy]-;Acetaldehyde, (4-(1,1-dimethylethyl)phenoxy)-;Acetaldehyde, 2-(4-(1,1-dimethylethyl)phenoxy)-;[4-(1,1-dimethylethyl)phenoxy]acetaldehyde;(4-(1,1-Dimethylethyl)phenoxy)acetaldehyde;SCHEMBL1822846;DTXSID7072672;p-(tert-Butyl)phenoxyacetaldehyde;AKOS011011217;2-[4-(1,1-dimethylethyl)phenoxy]acetoaldehyde;2-[4-(1,1-dimethylethyl) phenoxy]acetoaldehyde

Suppliers and Price of Acetaldehyde, [4-(1,1-dimethylethyl)phenoxy]-

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 7 raw suppliers

Chemical Property of Acetaldehyde, [4-(1,1-dimethylethyl)phenoxy]-

Chemical Property:

Vapor Pressure:0.00336mmHg at 25°C
Boiling Point:282.4°C at 760 mmHg
Flash Point:114°C
PSA：26.30000
Density:0.991g/cm³
LogP:2.56180
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:192.115029749
Heavy Atom Count:14
Complexity:173

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Acetaldehyde, [4-(1,1-dimethylethyl)phenoxy]-

There total 6 articles about Acetaldehyde, [4-(1,1-dimethylethyl)phenoxy]- 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:

: 14569-65-4
2-hydroxy-1,3-di-(4'-tert-butylphenoxy)propane

: 5396-38-3
1-(tert-butyl)-4-methoxybenzene

: 72928-50-8
(4-tert-butyl-phenoxy)-acetaldehyde

Guidance literature:: With 2,4,6-trimethyl-pyridine; 3,4-difluorobenzenethiol; [Ir(2-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine)₂(5,5'-bis(trifluoromethyl)-2,2'-bipyridine)]PF₆; In dichloromethane; at 35 - 40 ℃; for 24h; Inert atmosphere; Irradiation;
DOI:10.1021/jacs.1c05330

Reference yield:

: 98-54-4
para-tert-butylphenol

: 72928-50-8
(4-tert-butyl-phenoxy)-acetaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: KOH-solution; copper powder

2: diluted sulfuric acid; acetic acid

With potassium hydroxide; sulfuric acid; copper; acetic acid;

Reference yield:

: 3101-60-8
4-tert-butylphenyl 2,3-epoxypropyl ether

: 5396-38-3
1-(tert-butyl)-4-methoxybenzene

: 72928-50-8
(4-tert-butyl-phenoxy)-acetaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate; tetrabutylammomium bromide; palladium dichloride / water / 60 °C

2: [Ir(2-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine)₂(5,5'-bis(trifluoromethyl)-2,2'-bipyridine)]PF₆; 3,4-difluorobenzenethiol; 2,4,6-trimethyl-pyridine / dichloromethane / 24 h / 35 - 40 °C / Inert atmosphere; Irradiation

With 2,4,6-trimethyl-pyridine; 3,4-difluorobenzenethiol; [Ir(2-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine)₂(5,5'-bis(trifluoromethyl)-2,2'-bipyridine)]PF₆; tetrabutylammomium bromide; potassium carbonate; palladium dichloride; In dichloromethane; water;
DOI:10.1021/jacs.1c05330