N-isobutylpiperidine-3-carboxamide hydrochloride

Base Information

• Chemical Name: N-isobutylpiperidine-3-carboxamide hydrochloride
• CAS No.: 937725-08-1
• Molecular Formula: C₁₀H₂₀N₂O*ClH
• Molecular Weight: 220.743
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00590471
• Mol file: 937725-08-1.mol

Synonyms:937725-08-1;N-isobutylpiperidine-3-carboxamide hydrochloride;N-Isobutyl-3-piperidinecarboxamide hydrochloride;N-(2-methylpropyl)piperidine-3-carboxamide hydrochloride;MFCD06796402;N-(2-methylpropyl)piperidine-3-carboxamide;hydrochloride;Piperidine-3-carboxylic acid isobutylamide hydrochloride;rac piperidine-3-carboxylic acid isobutylamide hcl;SCHEMBL1228456;DTXSID00590471;UXVNPWDLMPGEIL-UHFFFAOYSA-N;AKOS015846757;EN300-39442;G29204;N-Isobutyl-3-piperidinecarboxamidehydrochloride;rac Piperidine-3-carboxylic acid isobutylamide x HCl;piperidine-3-carboxylic acid isobutylamidehydrochloride;Z425449674;rac Piperidine-3-carboxylic acid isobutylamide hydrochloride;N-(2-Methylpropyl)piperidine-3-carboxamide--hydrogen chloride (1/1)

Chemical Property of N-isobutylpiperidine-3-carboxamide hydrochloride

Chemical Property:

• Vapor Pressure: 5.42E-06mmHg at 25°C
• Boiling Point: 375.1°C at 760 mmHg
• Flash Point: 180.7°C
• PSA: 41.13000
• LogP: 2.27990
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 220.1342410
• Heavy Atom Count: 14
• Complexity: 168

Purity/Quality:

97% ^*data from raw suppliers

Piperidine-3-carboxylicAcidisobutylamideHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CNC(=O)C1CCCNC1.Cl

Technology Process of N-isobutylpiperidine-3-carboxamide hydrochloride

There total 3 articles about N-isobutylpiperidine-3-carboxamide hydrochloride 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:

C15H28N2O3 (937725-01-4) → N-isobutylpiperidine-3-carboxamide hydrochloride (937725-08-1)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane;

DOI:10.1016/j.bmcl.2007.01.094

Reference yield:

N-(tert-butyloxycarbonyl)nipecotic acid (71381-75-4,88495-54-9,84358-12-3) → N-isobutylpiperidine-3-carboxamide hydrochloride (937725-08-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide*HCl; 1-hydroxybenzotriazole / CH₂Cl₂ / 20 °C

2: HCl / dioxane

With hydrogenchloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In 1,4-dioxane; dichloromethane;

DOI:10.1016/j.bmcl.2007.01.094

Reference yield:

nipecotic acid (498-95-3,262853-93-0) → N-isobutylpiperidine-3-carboxamide hydrochloride (937725-08-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide*HCl; 1-hydroxybenzotriazole / CH₂Cl₂ / 20 °C

2: HCl / dioxane

With hydrogenchloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In 1,4-dioxane; dichloromethane;

DOI:10.1016/j.bmcl.2007.01.094

upstream raw materials:

C₁₅H₂₈N₂O₃

N-(tert-butyloxycarbonyl)nipecotic acid

nipecotic acid

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