N-(4,7-Dimethoxy-6-(2-(hexahydro-1H-azepin-1-yl)ethoxy)-5-benzofuranyl)-N'-methylurea

Base Information

Chemical Name:N-(4,7-Dimethoxy-6-(2-(hexahydro-1H-azepin-1-yl)ethoxy)-5-benzofuranyl)-N'-methylurea
CAS No.:66203-01-8
Molecular Formula:C20H29N3O5
Molecular Weight:391.4614
Hs Code.:
DSSTox Substance ID:DTXSID50984689
Nikkaji Number:J87.664J
Wikidata:Q82971980
ChEMBL ID:CHEMBL46825

Synonyms:BRN 1668429;66203-01-8;N-(4,7-Dimethoxy-6-(2-(hexahydro-1H-azepin-1-yl)ethoxy)-5-benzofuranyl)-N'-methylurea;Urea, 1-(4,7-dimethoxy-6-(2-(hexahydro-1H-azepin-1-yl)ethoxy)-5-benzofuranyl)-3-methyl-;CHEMBL46825;DTXSID50984689;LS-159891;1-[4,7-Dimethoxy-6-[2-(hexahydro-1H-azepin-1-yl)ethoxy]benzofuran-5-yl]-3-methylurea;N-{6-[2-(Azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl}-N'-methylcarbamimidic acid

Suppliers and Price of N-(4,7-Dimethoxy-6-(2-(hexahydro-1H-azepin-1-yl)ethoxy)-5-benzofuranyl)-N'-methylurea

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of N-(4,7-Dimethoxy-6-(2-(hexahydro-1H-azepin-1-yl)ethoxy)-5-benzofuranyl)-N'-methylurea

Chemical Property:

Vapor Pressure:2.88E-11mmHg at 25°C
Boiling Point:528.8°Cat760mmHg
Flash Point:273.6°C
Density:1.193g/cm³
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:391.21072103
Heavy Atom Count:28
Complexity:487

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CNC(=O)NC1=C(C2=C(C(=C1OCCN3CCCCCC3)OC)OC=C2)OC

Technology Process of N-(4,7-Dimethoxy-6-(2-(hexahydro-1H-azepin-1-yl)ethoxy)-5-benzofuranyl)-N'-methylurea

There total 6 articles about N-(4,7-Dimethoxy-6-(2-(hexahydro-1H-azepin-1-yl)ethoxy)-5-benzofuranyl)-N'-methylurea 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: 61.0%

: 111-49-9
hexamethylene imine

: 66203-90-5
N-<6-(2-chloroethoxy)-4,4-dimethoxy-5-benzofuranyl>-N'-methylurea

: 66203-01-8
1-[6-(2-Azepan-1-yl-ethoxy)-4,7-dimethoxy-benzofuran-5-yl]-3-methyl-urea

Guidance literature:: With potassium carbonate; sodium iodide; In acetonitrile; for 15h; Heating;
DOI:10.1021/jm00134a007

Reference yield:

: 52631-79-5
N-(4,7-dimethoxy-6-hydroxy-5-benzofuranyl)acetamide

: 66203-01-8
1-[6-(2-Azepan-1-yl-ethoxy)-4,7-dimethoxy-benzofuran-5-yl]-3-methyl-urea

Guidance literature:: Multi-step reaction with 4 steps

1: 90 percent / HCl / ethanol / 20 h / Heating

2: 89 percent / CHCl₃ / 2 h / Ambient temperature

3: 62 percent / K₂CO₃ / acetonitrile / 4.5 h / Heating

4: 61 percent / NaI, K₂CO₃ / acetonitrile / 15 h / Heating

With hydrogenchloride; potassium carbonate; sodium iodide; In ethanol; chloroform; acetonitrile;
DOI:10.1021/jm00134a007

Reference yield:

: 484-51-5
5-acetyl-6-hydroxy-4,7-dimethoxybenzofuran

: 66203-01-8
1-[6-(2-Azepan-1-yl-ethoxy)-4,7-dimethoxy-benzofuran-5-yl]-3-methyl-urea

Guidance literature:: Multi-step reaction with 6 steps

1: 82 percent / hydroxylamine hydrochloride, conc. NaOH / ethanol; H₂O / 6 h / Heating

2: 75 percent / aq. AcOH, HCl(g) / 0.5 h / 90 °C

3: 90 percent / HCl / ethanol / 20 h / Heating

4: 89 percent / CHCl₃ / 2 h / Ambient temperature

5: 62 percent / K₂CO₃ / acetonitrile / 4.5 h / Heating

6: 61 percent / NaI, K₂CO₃ / acetonitrile / 15 h / Heating

With hydrogenchloride; sodium hydroxide; hydroxylamine hydrochloride; potassium carbonate; acetic acid; sodium iodide; In ethanol; chloroform; water; acetonitrile;
DOI:10.1021/jm00134a007