N-benzyl-N-methylpiperidine-4-carboxamide

Base Information

• Chemical Name: N-benzyl-N-methylpiperidine-4-carboxamide
• CAS No.: 686255-79-8
• Molecular Formula: C14H20N2O
• Molecular Weight: 232.326
• Hs Code.: 2933399090
• ChEMBL ID: CHEMBL4529478
• DSSTox Substance ID: DTXSID50408355
• Wikidata: Q82213822
• Mol file: 686255-79-8.mol

Synonyms:N-benzyl-N-methylpiperidine-4-carboxamide;686255-79-8;SCHEMBL3560864;CHEMBL4529478;DTXSID50408355;KCGJGWKYMLRMOM-UHFFFAOYSA-N;MFCD03372499;AKOS000164544;4-(N-methyl-N-benzylcarbamoyl)piperidine;BS-36231;CS-0322641

Chemical Property of N-benzyl-N-methylpiperidine-4-carboxamide

Chemical Property:

• Vapor Pressure: 1.78E-06mmHg at 25°C
• Boiling Point: 395.9°C at 760 mmHg
• PKA: 9.75±0.10(Predicted)
• Flash Point: 193.2°C
• PSA: 32.34000
• Density: 1.064g/cm³
• LogP: 1.97340
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 232.157563266
• Heavy Atom Count: 17
• Complexity: 243

Purity/Quality:

99% ^*data from raw suppliers

N-benzyl-N-methylpiperidine-4-carboxamide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CC1=CC=CC=C1)C(=O)C2CCNCC2

Technology Process of N-benzyl-N-methylpiperidine-4-carboxamide

There total 7 articles about N-benzyl-N-methylpiperidine-4-carboxamide 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:

tert-butyl 4-(benzyl(methyl)carbamoyl)piperidine-1-carboxylate (896085-17-9) → N-methyl-N-(phenylmethyl)-4-piperidinecarboxamide (686255-79-8)

Guidance literature:

With hydrogenchloride;

DOI:10.1016/j.bmcl.2010.04.111

Reference yield:

4-(Benzyl-methyl-carbamoyl)-piperidine-1-carboxylic acid benzyl ester → N-methyl-N-(phenylmethyl)-4-piperidinecarboxamide (686255-79-8)

Guidance literature:

With hydrogen bromide; In acetic acid; at 0 - 20 ℃; for 4h;

DOI:10.1021/jm00389a007

Reference yield:

benzyl-methyl-amine (103-67-3) → N-methyl-N-(phenylmethyl)-4-piperidinecarboxamide (686255-79-8)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / Ambient temperature

2: HBr / acetic acid / 4 h / 0 - 20 °C

With hydrogen bromide; In acetic acid; toluene;

DOI:10.1021/jm00389a007

upstream raw materials:

benzyl 4-(chlorocarbonyl)piperidine-1-carboxylate

benzyl-methyl-amine

tert-butyl 4-(benzyl(methyl)carbamoyl)piperidine-1-carboxylate

N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid

Downstream raw materials:

1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-piperidine-4-carboxylic acid benzyl-methyl-amide

C₂₃H₂₆N₄O₂

C₃₁H₄₁N₃O₅S