N-(pyridin-2-ylmethyl)propan-1-amine

Base Information

• Chemical Name: N-(pyridin-2-ylmethyl)propan-1-amine
• CAS No.: 51639-59-9
• Molecular Formula: C9H14N2
• Molecular Weight: 150.224
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60406029
• Nikkaji Number: J1.828.826E
• Wikidata: Q82210869
• Mol file: 51639-59-9.mol

Synonyms:51639-59-9;N-(pyridin-2-ylmethyl)propan-1-amine;N-(2-PYRIDINYLMETHYL)-1-PROPANAMINE;propyl[(pyridin-2-yl)methyl]amine;2-Pyridinemethanamine, N-propyl-;SCHEMBL434742;N-Propyl(2-pyridyl)methanamine;DTXSID60406029;BCA63959;MFCD07411569;AKOS000197220;BS-36604;FT-0753980;EN300-169258

Chemical Property of N-(pyridin-2-ylmethyl)propan-1-amine

Chemical Property:

• Vapor Pressure: 0.116mmHg at 25°C
• Boiling Point: 220°C at 760 mmHg
• PKA: 8.37±0.20(Predicted)
• Flash Point: 86.8°C
• PSA: 24.92000
• Density: 0.954g/cm³
• LogP: 1.97210
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 150.115698455
• Heavy Atom Count: 11
• Complexity: 93.6

Purity/Quality:

97% ^*data from raw suppliers

N-(Pyridin-2-ylmethyl)propan-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCNCC1=CC=CC=N1

Technology Process of N-(pyridin-2-ylmethyl)propan-1-amine

There total 4 articles about N-(pyridin-2-ylmethyl)propan-1-amine 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: 92.2%

pyridine-2-carbaldehyde (1121-60-4) + propylamine (107-10-8,42939-71-9) → N-((pyridin-2-yl)methyl)propan-1-amine (51639-59-9)

Guidance literature:

pyridine-2-carbaldehyde; propylamine; With sodium sulfate; In dichloromethane; at 20 ℃;

With methanol; sodium tetrahydroborate; at 20 ℃; for 1h; Cooling with ice;

Reference yield:

N-propyl 2-pyridylmethanimine (4206-52-4) → N-((pyridin-2-yl)methyl)propan-1-amine (51639-59-9)

Guidance literature:

With sodium tetrahydroborate; In methanol; for 3h; Yield given;

DOI:10.1002/mrc.1260250808

Reference yield:

pyridine-2-carbaldehyde (1121-60-4) → N-((pyridin-2-yl)methyl)propan-1-amine (51639-59-9)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene / Heating

2: sodium borohydride / methanol / 3 h

With sodium tetrahydroborate; In methanol; benzene;

DOI:10.1002/mrc.1260250808

upstream raw materials:

N-propyl 2-pyridylmethanimine

pyridine-2-carbaldehyde

propylamine

Downstream raw materials:

N-propyl-N-pyridine-2-ylmethylbenzamide