N-Demethylbelladine

Base Information

• Chemical Name: N-Demethylbelladine
• CAS No.: 40172-00-7
• Molecular Formula: C₁₈H₂₃NO₃
• Molecular Weight: 301.386
• DSSTox Substance ID: DTXSID101193495
• Nikkaji Number: J2.151.993F
• Mol file: 40172-00-7.mol

Synonyms:N-Demethylbelladine;DTXSID101193495;AKOS002617713;SR-01000213281;SR-01000213281-1;N-[(3,4-Dimethoxyphenyl)methyl]-4-methoxybenzeneethanamine;40172-00-7

Chemical Property of N-Demethylbelladine

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 301.16779360
• Heavy Atom Count: 22
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CCNCC2=CC(=C(C=C2)OC)OC

Technology Process of N-Demethylbelladine

There total 4 articles about N-Demethylbelladine 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:

(4-methoxy-phenethyl)-veratryliden-amine → N-demethylbelladine (40172-00-7)

Guidance literature:

With acetic acid; platinum; Hydrogenation;

DOI:10.1021/ja01357a023

Reference yield:

3-(4-methoxy-phenyl)propionamide (25413-27-8) → N-demethylbelladine (40172-00-7)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hypochlorite

2: 100 °C

3: platinum; acetic acid / Hydrogenation

With sodium hypochlorite; acetic acid; platinum;

DOI:10.1021/ja01357a023

Reference yield:

4-Methoxyphenethylamine (55-81-2) → N-demethylbelladine (40172-00-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 °C

2: platinum; acetic acid / Hydrogenation

With acetic acid; platinum;

DOI:10.1021/ja01357a023

upstream raw materials:

3-(4-methoxy-phenyl)propionamide

4-Methoxyphenethylamine

Downstream raw materials:

belladine

N-(3,4-dimethoxybenzyl)-N-(4-methoxyphenethyl)trifluoroacetamide