2,5-Cyclohexadiene-1-acetaldehyde

Base Information

Chemical Name:2,5-Cyclohexadiene-1-acetaldehyde
CAS No.:41728-24-9
Molecular Formula:C₈H₁₀O
Molecular Weight:122.167
Hs Code.:
DSSTox Substance ID:DTXSID201299557
Nikkaji Number:J2.300.841F

Synonyms:2,5-Cyclohexadiene-1-acetaldehyde;DTXSID201299557;AKOS000277684;41728-24-9

Suppliers and Price of 2,5-Cyclohexadiene-1-acetaldehyde

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 1 raw suppliers

Chemical Property of 2,5-Cyclohexadiene-1-acetaldehyde

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:122.073164938
Heavy Atom Count:9
Complexity:133

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C=CC(C=C1)CC=O

Technology Process of 2,5-Cyclohexadiene-1-acetaldehyde

There total 5 articles about 2,5-Cyclohexadiene-1-acetaldehyde 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:

: 3-(2,2-dimethoxyethyl)cyclohexa-1,4-diene

: 41728-24-9
2-(cyclohexa-2,5-dien-1-yl)acetaldehyde

Guidance literature:: With toluene-4-sulfonic acid; In acetone; at 20 ℃; for 4h;
DOI:10.1021/jacs.8b12318

Reference yield:

: 1165952-92-0
cyclohexa-1,4-diene

: 41728-24-9
2-(cyclohexa-2,5-dien-1-yl)acetaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1.1: sec.-butyllithium; N,N,N,N,-tetramethylethylenediamine / tetrahydrofuran; hexane / -78 - -30 °C / Schlenk technique; Inert atmosphere

1.2: 1.5 h / -78 °C / Schlenk technique; Inert atmosphere

2.1: toluene-4-sulfonic acid / acetone / 4 h / 20 °C

With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium; toluene-4-sulfonic acid; In tetrahydrofuran; hexane; acetone;
DOI:10.1021/jacs.8b12318