Dimecrotate

Base Information

Chemical Name:Dimecrotate
CAS No.:54283-64-6
Molecular Formula:C₁₂H₁₄O₄
Molecular Weight:222.241
Hs Code.:
UNII:R46Y1C0ZR2
DSSTox Substance ID:DTXSID80860023
Nikkaji Number:J8.964H
NCI Thesaurus Code:C65395
ChEMBL ID:CHEMBL2106711

Synonyms:Dimecrotic acid;Dimecrotate;Molnia;Dimecrotic acid [MI];Dimecrotic acid [INN];Dimecrotic acid [MART.];Dimecrotic acid [WHO-DD];R46Y1C0ZR2;UNII-R46Y1C0ZR2;Dimecrotic acid [INN:WHO-DD];2,4-Dimethoxy-beta-methylcinnamic acid;54283-64-6;CHEMBL2106711;DTXSID80860023;T71325;(2Z)-3-(2,4-Dimethoxyphenyl)-2-butenoic acid;2,4-DIMETHOXY-.BETA.-METHYLCINNAMIC ACID;Q-200990;Q27287781

Suppliers and Price of Dimecrotate

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 0 raw suppliers

Chemical Property of Dimecrotate

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:222.08920892
Heavy Atom Count:16
Complexity:272

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Dimecrotate

There total 9 articles about Dimecrotate 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: 85.0%

: 2555-28-4
4-methyl-7-methoxy-2H-1-benzopyran-2-one

: 74-88-4
methyl iodide

: 54283-64-6
3-<2,4-Dimethoxy-phenyl>-trans-crotonsaeure

Guidance literature:: With sodium hydride; In tetrahydrofuran; 1.) 15 min, 2.) 10 h;

Reference yield:

: 90-33-5,79566-13-5
7-hydroxy-4-methyl-chromen-2-one

: 77-78-1
dimethyl sulfate

: 7706-67-4,54283-64-6
3-(2,4-dimethoxy-phenyl)-cis-crotonic acid

Guidance literature:: With potassium hydroxide; Erhitzen des Reaktionsgemisches mit wss. Kalilauge;
DOI:10.1021/ja01264a038

Reference yield:

: 90-33-5,79566-13-5
7-hydroxy-4-methyl-chromen-2-one

: 7706-67-4,54283-64-6
3-(2,4-dimethoxy-phenyl)-cis-crotonic acid

Guidance literature:: Multi-step reaction with 2 steps

1: aq. NaOH solution; mercury (II)-oxide / Zerlegen der gebildeten Quecksilber-Verbindung mit Hilfe von Schwefelwasserstoff

With sodium hydroxide; mercury(II) oxide;