N-Benzyl-N-methylputrescine

Base Information

• Chemical Name: N-Benzyl-N-methylputrescine
• CAS No.: 221196-25-4
• Molecular Formula: C12H20N2
• Molecular Weight: 192.304
• Hs Code.: 2921590090
• DSSTox Substance ID: DTXSID30427963
• Nikkaji Number: J1.157.434C
• Wikidata: Q82240719
• Mol file: 221196-25-4.mol

Synonyms:N-Benzyl-N-methylputrescine;221196-25-4;N-(4-Amino-1-butyl)-N-benzyl-methylamine;N'-benzyl-N'-methylbutane-1,4-diamine;MFCD06446890;SCHEMBL4604745;DTXSID30427963;LNKXNYGPRVTRQG-UHFFFAOYSA-N;N-benzyl-N-methylbutane-1,4-diamine;N-Methyl-N-benzylbutane-1,4-diamine;AKOS000161899;N1-benzyl-N1-methylbutane-1,4-diamine;(4-AMINOBUTYL)(BENZYL)METHYLAMINE;CS-0336371;FT-0662838;EN300-7303552;J-014523

Chemical Property of N-Benzyl-N-methylputrescine

Chemical Property:

• PSA: 29.26000
• LogP: 2.55760
• Solubility.: Chloroform, Dichloromethane
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 192.162648646
• Heavy Atom Count: 14
• Complexity: 130

Purity/Quality:

95% ^*data from raw suppliers

N-Benzyl-N-methylputrescine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(CCCCN)CC1=CC=CC=C1
• Uses: A key intermediate in the biosynthesis of Nicotine and the tropane alkaloids

Technology Process of N-Benzyl-N-methylputrescine

There total 6 articles about N-Benzyl-N-methylputrescine 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: 89.3%

2-[4-(N-benzyl-N-methylamino)butyl]-2,3-dihydro-1H-isoindole-1,3-dione (6820-99-1) → N1-benzyl-N1-methylbutane-1,4-diamine (221196-25-4)

Guidance literature:

With hydrazine hydrate; In ethanol; Reflux;

DOI:10.1016/j.bmcl.2016.03.086

Reference yield:

N-methyl-N-(3-cyanopropyl)benzylamine (89690-05-1) → N1-benzyl-N1-methylbutane-1,4-diamine (221196-25-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 1h;

DOI:10.1016/j.bmc.2012.10.045

Reference yield:

benzyl-methyl-amine (103-67-3) → N1-benzyl-N1-methylbutane-1,4-diamine (221196-25-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetone / 3 h / Reflux

2: lithium aluminium tetrahydride / tetrahydrofuran / 1 h / 0 °C

With lithium aluminium tetrahydride; potassium carbonate; In tetrahydrofuran; acetone;

DOI:10.1016/j.bmc.2012.10.045

upstream raw materials:

2-[4-(N-benzyl-N-methylamino)butyl]-2,3-dihydro-1H-isoindole-1,3-dione

[4-(benzyl-methyl-amino)-butyl]-carbamic acid tert-butyl ester

benzyl-methyl-amine

N-methyl-N-(3-cyanopropyl)benzylamine

Downstream raw materials:

C₂₄H₂₈N₂O₅