(E)-4-(2,4,5-Trimethoxyphenyl)-4-oxo-2-butenoic acid

Base Information

Chemical Name:(E)-4-(2,4,5-Trimethoxyphenyl)-4-oxo-2-butenoic acid
CAS No.:84386-10-7
Molecular Formula:C13H14 O6
Molecular Weight:266.25
Hs Code.:
Wikidata:Q76389057
Mol file:84386-10-7.mol

Synonyms:(E)-4-(2,4,5-Trimethoxyphenyl)-4-oxo-2-butenoic acid;84386-10-7;(E)-4-Oxo-4-(2,4,5-trimethoxyphenyl)-2-butenoic acid;2-Butenoic acid, 4-oxo-4-(2,4,5-trimethoxyphenyl)-, (E)-;SCHEMBL11101263;LS-47218

Suppliers and Price of (E)-4-(2,4,5-Trimethoxyphenyl)-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

American Custom Chemicals Corporation
2-BUTENOIC ACID, 4-OXO-4-(2,4,5-TRIMETHOXYPHENYL)-, (E)- 95.00%
5MG
$ 501.49

Total 4 raw suppliers

Chemical Property of (E)-4-(2,4,5-Trimethoxyphenyl)-4-oxo-2-butenoic acid

Chemical Property:

Vapor Pressure:4.01E-10mmHg at 25°C
Boiling Point:482.6°C at 760 mmHg
PKA:3.05±0.10(Predicted)
Flash Point:184.8°C
PSA：82.06000
Density:1.242g/cm³
LogP:1.53590
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:266.07903816
Heavy Atom Count:19
Complexity:351

Purity/Quality:: 2-BUTENOIC ACID, 4-OXO-4-(2,4,5-TRIMETHOXYPHENYL)-, (E)- 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=C(C=C1C(=O)C=CC(=O)O)OC)OC
Isomeric SMILES:COC1=CC(=C(C=C1C(=O)/C=C/C(=O)O)OC)OC

Technology Process of (E)-4-(2,4,5-Trimethoxyphenyl)-4-oxo-2-butenoic acid

There total 3 articles about (E)-4-(2,4,5-Trimethoxyphenyl)-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: 62.0%

: 84386-08-3
4-(2,4,5-trimethoxyphenyl)-4-oxo-2-hydroxy butanoic acid

: 84386-10-7
(E)-4-(2,4,5-trimethoxy phenyl)-4-oxo-2-butenoic acid

Guidance literature:: With hydrogenchloride; In acetic acid; for 1.5h; Heating;
DOI:10.1016/0223-5234(88)90166-3

Reference yield:

: 1818-28-6
2',4',5'-trimethoxyacetophenone

: 84386-10-7
(E)-4-(2,4,5-trimethoxy phenyl)-4-oxo-2-butenoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 67 percent / 3 h / 95 °C / 50 Torr

2: 62 percent / conc. HCl / acetic acid / 1.5 h / Heating

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