4-[4-(Acetyloxy)phenyl]-4-oxobut-2-enoic acid

Base Information

Chemical Name:4-[4-(Acetyloxy)phenyl]-4-oxobut-2-enoic acid
CAS No.:96567-78-1
Molecular Formula:C₁₂H₁₀O₅
Molecular Weight:234.208
Hs Code.:
DSSTox Substance ID:DTXSID20707029

Synonyms:96567-78-1;4-[4-(Acetyloxy)phenyl]-4-oxobut-2-enoic acid;SCHEMBL10619701;DTXSID20707029

Suppliers and Price of 4-[4-(Acetyloxy)phenyl]-4-oxobut-2-enoic acid

Supply Marketing:

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

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Chemical Property of 4-[4-(Acetyloxy)phenyl]-4-oxobut-2-enoic acid

Chemical Property:

XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:234.05282342
Heavy Atom Count:17
Complexity:337

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1=CC=C(C=C1)C(=O)C=CC(=O)O

Technology Process of 4-[4-(Acetyloxy)phenyl]-4-oxobut-2-enoic acid

There total 2 articles about 4-[4-(Acetyloxy)phenyl]-4-oxobut-2-enoic acid 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: 62.0%

: 86690-79-1
4-oxo-4-(4-hydroxy-phenyl)-trans-crotonic acid

: 108-24-7
acetic anhydride

: 96567-78-1
(E)-4-(4-acetoxyphenyl)-4-oxo-2-butenoic acid

Guidance literature:: at 50 ℃; for 1.5h;
DOI:10.1016/0223-5234(88)90166-3

Reference yield:

: 99-93-4
4-Hydroxyacetophenone

: 96567-78-1
(E)-4-(4-acetoxyphenyl)-4-oxo-2-butenoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 35 percent / acetic acid / 20 h / Heating

2: 62 percent / 1.5 h / 50 °C

In acetic acid;
DOI:10.1016/0223-5234(88)90166-3