(E)-4-(4-(Dimethylamino)phenyl)-4-oxo-2-butenoic acid

Base Information

Chemical Name:(E)-4-(4-(Dimethylamino)phenyl)-4-oxo-2-butenoic acid
CAS No.:86867-14-3
Molecular Formula:C₁₂H₁₃NO₃
Molecular Weight:219.24
Hs Code.:2924299090
Wikidata:Q76389148
Mol file:86867-14-3.mol

Synonyms:(E)-4-(4-(Dimethylamino)phenyl)-4-oxo-2-butenoic acid;(E)-4-(4-N,N-Dimethylaminophenyl)-4-oxobuten-2-oic acid;2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)-;86867-14-3;SCHEMBL10783931;LS-47133

Suppliers and Price of (E)-4-(4-(Dimethylamino)phenyl)-4-oxo-2-butenoic acid

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
Packaging
price

Total 3 raw suppliers

Chemical Property of (E)-4-(4-(Dimethylamino)phenyl)-4-oxo-2-butenoic acid

Chemical Property:

Vapor Pressure:2E-07mmHg at 25°C
Melting Point:146-148 °C
Boiling Point:409°C at 760 mmHg
PKA:3.35±0.10(Predicted)
Flash Point:201.2°C
PSA：57.61000
Density:1.216g/cm³
LogP:1.57610
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:219.08954328
Heavy Atom Count:16
Complexity:289

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)C1=CC=C(C=C1)C(=O)C=CC(=O)O
Isomeric SMILES:CN(C)C1=CC=C(C=C1)C(=O)/C=C/C(=O)O

Technology Process of (E)-4-(4-(Dimethylamino)phenyl)-4-oxo-2-butenoic acid

There total 6 articles about (E)-4-(4-(Dimethylamino)phenyl)-4-oxo-2-butenoic 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:

: C₁₂H₁₅O₄N

: 86867-14-3
(E)-4-(4-dimethylaminophenyl)-4-oxo-2-butenoic acid

Guidance literature:: With toluene-4-sulfonic acid; In benzene; for 4h; Heating;
DOI:10.3390/12051170

Reference yield:

: 100-66-3
methoxybenzene

: 86867-14-3
(E)-4-(4-dimethylaminophenyl)-4-oxo-2-butenoic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: anhydrous aluminum chloride / 1,1,2,2-tetrachloro-ethane / 0 °C

1.2: 91 percent / 1,1,2,2-tetrachloro-ethane / 0 - 20 °C

2.1: 33 percent / Li; HMPA / benzene / 24 h / 20 °C

3.1: tetramethylammonium hydroxide / methanol / 0 - 20 °C

4.1: p-toluenesulfonic acid / benzene / 4 h / Heating

With N,N,N,N,N,N-hexamethylphosphoric triamide; aluminium trichloride; tetramethyl ammoniumhydroxide; lithium; toluene-4-sulfonic acid; In methanol; 1,1,2,2-tetrachloroethane; benzene; 1.2: Friedel-Crafts reaction;
DOI:10.3390/12051170

Reference yield:

: 2124-31-4
4'-dimethylaminoacetophenone

: 86867-14-3
(E)-4-(4-dimethylaminophenyl)-4-oxo-2-butenoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: tetramethylammonium hydroxide / methanol / 0 - 20 °C

2: p-toluenesulfonic acid / benzene / 4 h / Heating

With tetramethyl ammoniumhydroxide; toluene-4-sulfonic acid; In methanol; benzene;
DOI:10.3390/12051170