4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid

Base Information

Chemical Name:4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid
CAS No.:94201-97-5
Molecular Formula:C₁₃H₁₄O₆
Molecular Weight:266.251
Hs Code.:
DSSTox Substance ID:DTXSID20868806
Mol file:94201-97-5.mol

Synonyms:SCHEMBL6859777;DTXSID20868806;4-oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid

Suppliers and Price of 4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic 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 4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid

Chemical Property:

Vapor Pressure:3.52E-09mmHg at 25°C
Boiling Point:457.9°Cat760mmHg
Flash Point:174.3°C
PSA：82.06000
Density:1.242g/cm³
LogP:1.53590
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:266.07903816
Heavy Atom Count:19
Complexity:337

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)C(=O)C=CC(=O)O

Technology Process of 4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid

There total 10 articles about 4-Oxo-4-(3,4,5-trimethoxyphenyl)but-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: 90.8%

: 118741-90-5
4,4-diethoxy-3',4',5'-trimethoxybut-2-ynophenone

: 84386-11-8,94201-97-5
(E)-4-(3,4,5-trimethoxyphenyl)-4-oxo-2-butenoic acid

Guidance literature:: With hydrogen bromide; In 1,4-dioxane; at 50 ℃; for 2.5h;
DOI:10.1002/hlca.19890720115

Reference yield: 70.0%

: 84386-09-4
4-(3,4,5-trimethoxyphenyl)-4-oxo-2-hydroxy butanoic acid

: 84386-11-8,94201-97-5
(E)-4-(3,4,5-trimethoxyphenyl)-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: 40.0%

: 1136-86-3
methyl (3,4,5-trimethoxyphenyl) ketone

: 298-12-4
Glyoxilic acid

: 84386-11-8,94201-97-5
(E)-4-(3,4,5-trimethoxyphenyl)-4-oxo-2-butenoic acid

Guidance literature:: Glyoxilic acid; With acetic anhydride; ytterbium(III) triflate; at 20 ℃; for 0.166667h;

methyl (3,4,5-trimethoxyphenyl) ketone; With acetic acid; In acetic acid; at 140 ℃; for 1h; Microwave irradiation; Sealed tube;
DOI:10.1002/ejoc.201300683