Agn-PC-0nhxne

Base Information

Chemical Name:Agn-PC-0nhxne
CAS No.:406940-42-9
Molecular Formula:C21H20O2S
Molecular Weight:336.455
Hs Code.:
DSSTox Substance ID:DTXSID80478581
Nikkaji Number:J1.681.286B
Wikidata:Q82312062

Synonyms:AGN-PC-0NHXNE;406940-42-9;SCHEMBL2342176;DTXSID80478581

Suppliers and Price of Agn-PC-0nhxne

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
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Total 0 raw suppliers

Chemical Property of Agn-PC-0nhxne

Chemical Property:

XLogP3:5.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:336.11840105
Heavy Atom Count:24
Complexity:351

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(COC2=CSC=C2O1)(CC3=CC=CC=C3)CC4=CC=CC=C4

Technology Process of Agn-PC-0nhxne

There total 4 articles about Agn-PC-0nhxne 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: 67.0%

: 51792-34-8
2,3-dimethoxythiophene

: 31952-16-6
2,2-dibenzyl-1,3-propanediol

: 406940-42-9
3,3-dibenzyl-3,4-dihydro-2H-thienopheno[3,4-b][1,4]dioxepine

Guidance literature:: toluene-4-sulfonic acid; In toluene; at 80 ℃; for 35h;
DOI:10.1246/bcsj.77.1173

Reference yield:

: 597-55-7
dibenzylmalonic acid diethyl ester

: 406940-42-9
3,3-dibenzyl-3,4-dihydro-2H-thienopheno[3,4-b][1,4]dioxepine

Guidance literature:: Multi-step reaction with 2 steps

1: 74 percent / LiAlH₄ / tetrahydrofuran

2: 67 percent / TsOH / toluene / 35 h / 80 °C

With lithium aluminium tetrahydride; toluene-4-sulfonic acid; In tetrahydrofuran; toluene;
DOI:10.1246/bcsj.77.1173

Reference yield:

: 100-44-7
benzyl chloride

: 406940-42-9
3,3-dibenzyl-3,4-dihydro-2H-thienopheno[3,4-b][1,4]dioxepine

Guidance literature:: Multi-step reaction with 3 steps

1.1: NaOH / ethanol / Heating

1.2: 60 percent / ethanol / Heating

2.1: 74 percent / LiAlH₄ / tetrahydrofuran

3.1: 67 percent / TsOH / toluene / 35 h / 80 °C

With sodium hydroxide; lithium aluminium tetrahydride; toluene-4-sulfonic acid; In tetrahydrofuran; ethanol; toluene;
DOI:10.1246/bcsj.77.1173