1-Benzylpiperidine-4-carbohydrazide

Base Information

• Chemical Name: 1-Benzylpiperidine-4-carbohydrazide
• CAS No.: 74045-91-3
• Molecular Formula: C13H19N3O
• Molecular Weight: 233.313
• DSSTox Substance ID: DTXSID50503738
• Wikidata: Q72442753
• Mol file: 74045-91-3.mol

Synonyms:1-BENZYLPIPERIDINE-4-CARBOHYDRAZIDE;74045-91-3;DTXSID50503738;MFCD08436967;AKOS005289518;FT-0730664;1-benzylpiperidine-4-carboxylic acid hydrazide

Chemical Property of 1-Benzylpiperidine-4-carbohydrazide

Chemical Property:

• PSA: 58.36000
• LogP: 1.91760
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.152812238
• Heavy Atom Count: 17
• Complexity: 243

Purity/Quality:

98%Min ^*data from raw suppliers

1-Benzylpiperidine-4-carbohydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1C(=O)NN)CC2=CC=CC=C2

Technology Process of 1-Benzylpiperidine-4-carbohydrazide

There total 3 articles about 1-Benzylpiperidine-4-carbohydrazide 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: 81.0%

N-benzyl isonipecotic acid ethyl ester (24228-40-8) → 1-benzyl-piperidine-4-carboxylic acid hydrazide (74045-91-3)

Guidance literature:

With hydrazine hydrate; for 3h; Heating;

DOI:10.1021/jm00182a007

Reference yield:

benzyl bromide (100-39-0) → 1-benzyl-piperidine-4-carboxylic acid hydrazide (74045-91-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / NaHCO₃ / dimethylformamide / 17 h / Ambient temperature

2: 81 percent / 85percent hydrazine hydrate / 3 h / Heating

With sodium hydrogencarbonate; hydrazine hydrate; In N,N-dimethyl-formamide;

DOI:10.1021/jm00182a007

Reference yield:

benzyl chloride (100-44-7) → 1-benzyl-piperidine-4-carboxylic acid hydrazide (74045-91-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine / acetonitrile / Inert atmosphere; Cooling with ice

1.2: 20 °C / Inert atmosphere

2.1: hydrazine hydrate / ethanol / Reflux

With hydrazine hydrate; triethylamine; In ethanol; acetonitrile;

DOI:10.1016/j.bioorg.2018.11.051

upstream raw materials:

N-benzyl isonipecotic acid ethyl ester

benzyl bromide

benzyl chloride

Downstream raw materials:

1-benzyl-4-[1,3,4]oxadiazol-2-yl-piperidine

Refernces

• 1、 Crider,Lamey,Floss,Cassady,Bradner. "Synthesis of nitrosourea derivatives of pyridine and piperidine as potential anticancer agents.". . p. 848 - 851. Retrieved 2007/10/02.