Bifendate Impurity E

Base Information

Chemical Name:Bifendate Impurity E
CAS No.:205117-47-1
Molecular Formula:C₁₉H₁₆O₁₀
Molecular Weight:404.33
Hs Code.:
UNII:544F84WK7R
ChEMBL ID:CHEMBL4104403
Nikkaji Number:J1.432.443G
Mol file:205117-47-1.mol

Synonyms:Bifendate Impurity E;205117-47-1;CHEMBL4104403;544F84WK7R;5-Methyl 7,7'-dimethoxy[4,4'-bi-1,3-benzodioxole]-5,5'-dicarboxylate;[4,4'-Bi-1,3-benzodioxole]-5,5'-dicarboxylic acid, 7,7'-dimethoxy-, 5-methyl ester;[4,4'-Bi-1,3-benzodioxole]-5,5'-dicarboxylic acid, 7,7'-dimethoxy-, monomethyl ester;7-Methoxy-4-[7-methoxy-5-(methoxycarbonyl)-2H-1,3-benzodioxol-4-yl]-2H-1,3-benzodioxole-5-carboxylic acid

Suppliers and Price of Bifendate Impurity E

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

TRC
7,7''-Dimethoxy-[4,4''-Bi-1,3-benzodioxole]-5,5''-dicarboxylicAcidMonomethylEster
1mg
$ 165.00

Total 6 raw suppliers

Chemical Property of Bifendate Impurity E

Chemical Property:

PSA：118.98000
LogP:2.31300
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:404.07434670
Heavy Atom Count:29
Complexity:626

Purity/Quality:

> 95% ^*data from raw suppliers

7,7''-Dimethoxy-[4,4''-Bi-1,3-benzodioxole]-5,5''-dicarboxylicAcidMonomethylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C2C(=C(C(=C1)C(=O)O)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2
Uses 7,7''-Dimethoxy-[4,4''-Bi-1,3-benzodioxole]-5,5''-dicarboxylic Acid Monomethyl Ester, is an impurity of Bifendate (B382890), a synthetic intermediate of Schisandrin C and also a anti-HBV drug used in the treatment of chronic hepatitis B.

Technology Process of Bifendate Impurity E

There total 4 articles about Bifendate Impurity E 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: 98.0%

: 4,4'-dimethoxy-5,6,5',6'-bis(methylenedioxy)-2,2'-biphenyldiformic anhydride

: 67-56-1
methanol

: 205117-47-1,211996-65-5,211996-66-6
7,7'-dimethoxy-5'-(methoxycarbonyl)-4,4'-bibenzo[d][1,3]dioxole-5-carboxylic acid

Guidance literature:: for 3h; Reflux;
DOI:10.1016/j.bmcl.2012.03.005

Reference yield: 96.0%

: 67-56-1
methanol

: 111897-21-3,111897-23-5,105868-34-6,111897-20-2
dimethyl-4,4'-dimethoxy-5,6,5',6'-dimethylenedioxybiphenyl-2,2'-dicarboxylic acid

: 205117-47-1,211996-65-5,211996-66-6
7,7'-dimethoxy-5'-(methoxycarbonyl)-4,4'-bibenzo[d][1,3]dioxole-5-carboxylic acid

Guidance literature:: dimethyl-4,4'-dimethoxy-5,6,5',6'-dimethylenedioxybiphenyl-2,2'-dicarboxylic acid; With acetic anhydride; for 12h; Reflux;

methanol; for 9h; Reflux;
DOI:10.1016/j.ejmech.2017.12.005

Reference yield:

: 111897-19-9,111897-25-7,111897-26-8,73536-69-3
DDB

: 205117-47-1,211996-65-5,211996-66-6
7,7'-dimethoxy-5'-(methoxycarbonyl)-4,4'-bibenzo[d][1,3]dioxole-5-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: potassium hydroxide / water / 6 h / 100 °C

2: acetic anhydride / 12 h / Reflux

3: 9 h / 65 °C

With acetic anhydride; potassium hydroxide; In water;
DOI:10.1016/j.ejmech.2011.10.005