Urea, 1-(4,7-dimethoxy-6-(4-piperidinobutoxy)-5-benzofuranyl)-3-methyl-

Base Information

Chemical Name:Urea, 1-(4,7-dimethoxy-6-(4-piperidinobutoxy)-5-benzofuranyl)-3-methyl-
CAS No.:75883-62-4
Molecular Formula:C₂₁H₃₁N₃O₅
Molecular Weight:405.494
Hs Code.:2934999090
DSSTox Substance ID:DTXSID90226792
Nikkaji Number:J87.677A
Wikidata:Q83106316
ChEMBL ID:CHEMBL43106
Mol file:75883-62-4.mol

Synonyms:75883-62-4;BRN 5164853;Urea, 1-(4,7-dimethoxy-6-(4-piperidinobutoxy)-5-benzofuranyl)-3-methyl-;N-(4,7-Dimethoxy-6-(4-piperidinobutoxy)-5-benzofuranyl)-N'-methylurea;CHEMBL43106;DTXSID90226792;LS-159914;1-[4,7-Dimethoxy-6-(4-piperidinobutoxy)benzofuran-5-yl]-3-methylurea

Suppliers and Price of Urea, 1-(4,7-dimethoxy-6-(4-piperidinobutoxy)-5-benzofuranyl)-3-methyl-

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 Urea, 1-(4,7-dimethoxy-6-(4-piperidinobutoxy)-5-benzofuranyl)-3-methyl-

Chemical Property:

Vapor Pressure:1.03E-11mmHg at 25°C
Boiling Point:539.7°C at 760 mmHg
Flash Point:280.2°C
PSA：88.69000
Density:1.181g/cm³
LogP:4.06150
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:405.22637110
Heavy Atom Count:29
Complexity:503

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CNC(=O)NC1=C(C2=C(C(=C1OCCCCN3CCCCC3)OC)OC=C2)OC

Technology Process of Urea, 1-(4,7-dimethoxy-6-(4-piperidinobutoxy)-5-benzofuranyl)-3-methyl-

There total 6 articles about Urea, 1-(4,7-dimethoxy-6-(4-piperidinobutoxy)-5-benzofuranyl)-3-methyl- 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: 79.0%

: 75883-99-7
4,7-Dimethoxy-6-(4-piperidin-1-yl-butoxy)-benzofuran-5-ylamine

: 624-83-9
methyl isocyanate

: 75883-62-4
1-[4,7-Dimethoxy-6-(4-piperidin-1-yl-butoxy)-benzofuran-5-yl]-3-methyl-urea

Guidance literature:: In toluene; for 5h; Ambient temperature;
DOI:10.1021/jm00134a007

Reference yield:

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

: 75883-62-4
1-[4,7-Dimethoxy-6-(4-piperidin-1-yl-butoxy)-benzofuran-5-yl]-3-methyl-urea

Guidance literature:: Multi-step reaction with 4 steps

1: 71 percent / K₂CO₃ / acetonitrile / 6 h / Heating

2: 40 percent / KI / acetonitrile / 24 h / Heating

3: 70 percent / 2 N HCl / 5 h / Heating

4: 79 percent / toluene / 5 h / Ambient temperature

With hydrogenchloride; potassium carbonate; potassium iodide; In toluene; acetonitrile;
DOI:10.1021/jm00134a007

Reference yield:

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

: 75883-62-4
1-[4,7-Dimethoxy-6-(4-piperidin-1-yl-butoxy)-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: 71 percent / K₂CO₃ / acetonitrile / 6 h / Heating

4: 40 percent / KI / acetonitrile / 24 h / Heating

5: 70 percent / 2 N HCl / 5 h / Heating

6: 79 percent / toluene / 5 h / Ambient temperature

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