Baxitozine

Base Information

Chemical Name:Baxitozine
CAS No.:84386-11-8
Molecular Formula:C13H14 O6
Molecular Weight:266.25
Hs Code.:
European Community (EC) Number:303-688-3
UNII:A89J34472U
DSSTox Substance ID:DTXSID701009379
Nikkaji Number:J382.483G,J23.769H
Wikidata:Q27273764
NCI Thesaurus Code:C73191
ChEMBL ID:CHEMBL2104000
Mol file:84386-11-8.mol

Synonyms:4-oxo-4-(3,4,5-trimethoxyphenyl)-2-butenoic acid;RU 38086;RU-38086

Suppliers and Price of Baxitozine

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
BAXITOZINE 95.00%
5MG
$ 496.11

Total 3 raw suppliers

Chemical Property of Baxitozine

Chemical Property:

Vapor Pressure:3.52E-09mmHg at 25°C
Boiling Point:457.9oC at 760 mmHg
Flash Point:174.3oC
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:: BAXITOZINE 95.00% ^*data from reagent 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
Isomeric SMILES:COC1=CC(=CC(=C1OC)OC)C(=O)/C=C/C(=O)O
Therapeutic Function Gastric cytoprotective; Antiulcer

Technology Process of Baxitozine

There total 8 articles about Baxitozine 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