3-(1-Methylaminobutyl)pyridine

Base Information

• Chemical Name: 3-(1-Methylaminobutyl)pyridine
• CAS No.: 3000-74-6
• Molecular Formula: C10H16 N2
• Molecular Weight: 164.25
• Hs Code.: 2933399090
• Mol file: 3000-74-6.mol

Synonyms:3,4-dihydrometanicotine;3,4-DMN

Chemical Property of 3-(1-Methylaminobutyl)pyridine

Chemical Property:

• Vapor Pressure: 0.0247mmHg at 25°C
• Boiling Point: 248.1°C at 760 mmHg
• Flash Point: 103.9°C
• PSA: 24.92000
• Density: 0.94g/cm³
• LogP: 2.01460
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 164.131348519
• Heavy Atom Count: 12
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

N-Methyl-3-pyridinebutanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C1=CN=CC=C1)NC
• Uses: N-Methyl-3-pyridinebutanamine is a metabolite of nicotine.

Technology Process of 3-(1-Methylaminobutyl)pyridine

There total 2 articles about 3-(1-Methylaminobutyl)pyridine 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:

methyl-(4-pyridin-3-yl-but-3-enyl)-amine (538-79-4) → 3-butylpyridine (539-32-2) + dihydrometanicotine (3000-74-6)

Guidance literature:

With phosphorus; hydrogen iodide; at 180 ℃; im Rohr und anschliessend Erhitzen auf 250-260grad;

Reference yield:

(S)-(-)-2,5-Dihydro-1-methyl-2-(3-pyridyl)pyrrole (85026-74-0) → dihydrometanicotine (3000-74-6) + nicotirine (487-19-4) + nicotin (54-11-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 2h; under 775.7 Torr; Yield given. Yields of byproduct given;

DOI:10.1021/jo00157a029

Reference yield:

dihydrometanicotine (3000-74-6) → 3-(1-methyl-pyrrolidin-2-yl)-pyridine (22083-74-5)

Guidance literature:

at 20 ℃; Behandeln des Reaktionsprodukts mit konz. Schwefelsaeure;

upstream raw materials:

methyl-(4-pyridin-3-yl-but-3-enyl)-amine

(S)-(-)-2,5-Dihydro-1-methyl-2-(3-pyridyl)pyrrole

Downstream raw materials:

3-(1-methyl-pyrrolidin-2-yl)-pyridine

Refernces