N-(3,6-Dimethoxy-5-(2-piperidinoethoxy)phenyl)-N'-methylurea hydrate

Base Information

Chemical Name:N-(3,6-Dimethoxy-5-(2-piperidinoethoxy)phenyl)-N'-methylurea hydrate
CAS No.:75883-80-6
Molecular Formula:C₁₇H₂₇N₃O₄
Molecular Weight:337.419
Hs Code.:
DSSTox Substance ID:DTXSID80226807
Wikidata:Q83106350
ChEMBL ID:CHEMBL295334

Synonyms:N-(3,6-Dimethoxy-5-(2-piperidinoethoxy)phenyl)-N'-methylurea hydrate;Urea, 1-(2,5-dimethoxy-6-(2-piperidinoethoxy)phenyl)-3-methyl-, hydrate (4:1);75883-80-6;CHEMBL295334;DTXSID80226807;C17H27N3O4.1/4H2O;LS-159929;C17-H27-N3-O4.1/4H2-O

Suppliers and Price of N-(3,6-Dimethoxy-5-(2-piperidinoethoxy)phenyl)-N'-methylurea hydrate

Supply Marketing:

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

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Chemical Property of N-(3,6-Dimethoxy-5-(2-piperidinoethoxy)phenyl)-N'-methylurea hydrate

Chemical Property:

Vapor Pressure:5.09E-09mmHg at 25°C
Boiling Point:470.4°Cat760mmHg
Flash Point:238.3°C
Density:1.15g/cm³
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:337.20015635
Heavy Atom Count:24
Complexity:377

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CNC(=O)NC1=C(C=CC(=C1OCCN2CCCCC2)OC)OC

Technology Process of N-(3,6-Dimethoxy-5-(2-piperidinoethoxy)phenyl)-N'-methylurea hydrate

There total 4 articles about N-(3,6-Dimethoxy-5-(2-piperidinoethoxy)phenyl)-N'-methylurea hydrate 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: 21.0%

: 75884-26-3
3,6-dimethoxy-5-(2-piperidinoethoxy)aniline

: 624-83-9
methyl isocyanate

: 75883-80-6
1-[3,6-Dimethoxy-2-(2-piperidin-1-yl-ethoxy)-phenyl]-3-methyl-urea

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

Reference yield:

: 52099-27-1
3,6-dimethoxy-2-hydroxyacetophenone

: 75883-80-6
1-[3,6-Dimethoxy-2-(2-piperidin-1-yl-ethoxy)-phenyl]-3-methyl-urea

Guidance literature:: Multi-step reaction with 5 steps

1: 100 percent / hydroxylamine hydrochloride, conc. NaOH / ethanol; H₂O / 6 h / Heating

2: 26 percent / aq. AcOH, HCl(g) / 0.5 h / 90 °C

3: 35 percent / K₂CO₃ / acetonitrile / 8 h / Heating

4: 82 percent / 2 N HCl / 5 h / Heating

5: 21 percent / toluene / 5 h / Ambient temperature

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

Reference yield:

: 75884-24-1
N-(3,6-dimethoxy-5-hydroxyphenyl)acetamide

: 75883-80-6
1-[3,6-Dimethoxy-2-(2-piperidin-1-yl-ethoxy)-phenyl]-3-methyl-urea

Guidance literature:: Multi-step reaction with 3 steps

1: 35 percent / K₂CO₃ / acetonitrile / 8 h / Heating

2: 82 percent / 2 N HCl / 5 h / Heating

3: 21 percent / toluene / 5 h / Ambient temperature

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