Benzamide, N-[3,6-dihydro-4-(3-hydroxypropyl)-1(2H)-pyridinyl]-

Base Information

• Chemical Name: Benzamide, N-[3,6-dihydro-4-(3-hydroxypropyl)-1(2H)-pyridinyl]-
• CAS No.: 104642-70-8
• Molecular Formula: C15H20N2O2
• Molecular Weight: 260.336
• DSSTox Substance ID: DTXSID10438633
• Nikkaji Number: J1.091.722K
• Wikidata: Q82254436
• ChEMBL ID: CHEMBL10976
• Mol file: 104642-70-8.mol

Synonyms:Benzamide, N-[3,6-dihydro-4-(3-hydroxypropyl)-1(2H)-pyridinyl]-;104642-70-8;CHEMBL10976;DTXSID10438633;N-[[4-(3-Hydroxypropyl)-1,2,5,6-tetrahydropyridine]-1-yl]benzamide

Chemical Property of Benzamide, N-[3,6-dihydro-4-(3-hydroxypropyl)-1(2H)-pyridinyl]-

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 260.152477885
• Heavy Atom Count: 19
• Complexity: 322

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC=C1CCCO)NC(=O)C2=CC=CC=C2

Technology Process of Benzamide, N-[3,6-dihydro-4-(3-hydroxypropyl)-1(2H)-pyridinyl]-

There total 4 articles about Benzamide, N-[3,6-dihydro-4-(3-hydroxypropyl)-1(2H)-pyridinyl]- 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: 55.0%

N-(benzoylimino)-4-(3-hydroxypropyl)pyridinium ylide (104642-57-1) → N-(benzoylamino)-4-(3-hydroxypropyl)-1,2,3,6-tetrahydropyridine (104642-70-8)

Guidance literature:

With sodium tetrahydroborate; In ethanol; a) from 0 to 10 deg C, 3 h, b) RT, 3 h;

DOI:10.1002/jhet.5570320151

Reference yield:

benzoic acid hydrazide (613-94-5) → N-(benzoylamino)-4-(3-hydroxypropyl)-1,2,3,6-tetrahydropyridine (104642-70-8)

Guidance literature:

Multi-step reaction with 3 steps

1: Et₃N / methanol / Ambient temperature

2: dioxane; H₂O / 12 h / Heating

3: 47 percent / NaBH₄ / ethanol / 8 h / 0 °C

With sodium tetrahydroborate; triethylamine; In 1,4-dioxane; methanol; ethanol; water;

DOI:10.1021/jm00384a018

Reference yield:

Benzoic acid [(Z)-3-[(Z)-2-(2,4-dinitro-phenylamino)-vinyl]-6-hydroxy-hex-2-en-(E)-ylidene]-hydrazide → N-(benzoylamino)-4-(3-hydroxypropyl)-1,2,3,6-tetrahydropyridine (104642-70-8)

Guidance literature:

Multi-step reaction with 2 steps

1: dioxane; H₂O / 12 h / Heating

2: 47 percent / NaBH₄ / ethanol / 8 h / 0 °C

With sodium tetrahydroborate; In 1,4-dioxane; ethanol; water;

DOI:10.1021/jm00384a018

upstream raw materials:

N-(benzoylimino)-4-(3-hydroxypropyl)pyridinium ylide

benzoic acid hydrazide

N-(2,4-dinitrophenyl)-4-(3-hydroxypropyl)pyridinium chloride

Downstream raw materials:

4-(3-acetoxypropyl)-N-(3,6-dihydro-1(2H)-pyridinyl)benzamide

4-(3-methoxypropyl)-N-(3,6-dihydro-1(2H)-pyridinyl)benzamide

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