5-Pyrimidinecarboxamide, N-(1-benzyl-4-piperidyl)-2-(dimethylamino)-4-methoxy-, monohydrochloride

Base Information

Chemical Name:5-Pyrimidinecarboxamide, N-(1-benzyl-4-piperidyl)-2-(dimethylamino)-4-methoxy-, monohydrochloride
CAS No.:72418-34-9
Molecular Formula:C20H28ClN5O2
Molecular Weight:405.928
Hs Code.:
DSSTox Substance ID:DTXSID70993233

Synonyms:5-Pyrimidinecarboxamide, N-(1-benzyl-4-piperidyl)-2-(dimethylamino)-4-methoxy-, monohydrochloride;72418-34-9;C20H27N5O2.ClH;DTXSID70993233;C20-H27-N5-O2.Cl-H;LS-134780;N-(1-Benzylpiperidin-4-yl)-2-(dimethylamino)-4-methoxypyrimidine-5-carboximidic acid--hydrogen chloride (1/1)

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

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Chemical Property of 5-Pyrimidinecarboxamide, N-(1-benzyl-4-piperidyl)-2-(dimethylamino)-4-methoxy-, monohydrochloride

Chemical Property:

Vapor Pressure:6.71E-14mmHg at 25°C
Boiling Point:583.3°Cat760mmHg
Flash Point:306.6°C
Density:g/cm³
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:405.1931528
Heavy Atom Count:28
Complexity:461

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)C1=NC=C(C(=N1)OC)C(=O)NC2CCN(CC2)CC3=CC=CC=C3.Cl

Technology Process of 5-Pyrimidinecarboxamide, N-(1-benzyl-4-piperidyl)-2-(dimethylamino)-4-methoxy-, monohydrochloride

There total 5 articles about 5-Pyrimidinecarboxamide, N-(1-benzyl-4-piperidyl)-2-(dimethylamino)-4-methoxy-, monohydrochloride 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:

: 53554-29-3
ethyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate

: 72418-34-9
2-Dimethylamino-4-methoxy-pyrimidine-5-carboxylic acid (1-benzyl-piperidin-4-yl)-amide; hydrochloride

Guidance literature:: Multi-step reaction with 5 steps

1: 60 percent / dioxane / 6 h / 110 °C

2: 79 percent / phosphorus oxychloride / 0.5 h / 60 °C

3: sodium / Ambient temperature

4: NaOH / methanol; H₂O / 1 h / 65 °C

5: 1.) triethylamine, ethylchloroformate / 1.) DMF, 0 deg C, 30 min, 2.) room temp. overnight

With sodium hydroxide; sodium; chloroformic acid ethyl ester; triethylamine; trichlorophosphate; In 1,4-dioxane; methanol; water;

Reference yield:

: 54127-87-6
ethyl 6-chloro-2-dimethylaminopyrimidine-5-carboxylate

: 72418-34-9
2-Dimethylamino-4-methoxy-pyrimidine-5-carboxylic acid (1-benzyl-piperidin-4-yl)-amide; hydrochloride

Guidance literature:: Multi-step reaction with 3 steps

1: sodium / Ambient temperature

2: NaOH / methanol; H₂O / 1 h / 65 °C

3: 1.) triethylamine, ethylchloroformate / 1.) DMF, 0 deg C, 30 min, 2.) room temp. overnight

With sodium hydroxide; sodium; chloroformic acid ethyl ester; triethylamine; In methanol; water;

Reference yield:

: 72411-80-4
2-Dimethylamino-4-methoxy-pyrimidine-5-carboxylic acid methyl ester

: 72418-34-9
2-Dimethylamino-4-methoxy-pyrimidine-5-carboxylic acid (1-benzyl-piperidin-4-yl)-amide; hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: NaOH / methanol; H₂O / 1 h / 65 °C

2: 1.) triethylamine, ethylchloroformate / 1.) DMF, 0 deg C, 30 min, 2.) room temp. overnight

With sodium hydroxide; chloroformic acid ethyl ester; triethylamine; In methanol; water;