N-(4-Aminobutyl)benzamide

Base Information

• Chemical Name: N-(4-Aminobutyl)benzamide
• CAS No.: 5692-23-9
• Molecular Formula: C11H16N2O
• Molecular Weight: 192.261
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID30205465
• Nikkaji Number: J1.586.996H
• Wikidata: Q83079048
• Mol file: 5692-23-9.mol

Synonyms:N-(4-Aminobutyl)benzamide;Benzoylputrescine;5692-23-9;Benzamide, N-(4-aminobutyl)-;BRN 2094940;4-09-00-00862 (Beilstein Handbook Reference);benzoyl putrescine;Aminobutyl benzamide;SCHEMBL5855204;DTXSID30205465;LS-25399;A1-05480

Chemical Property of N-(4-Aminobutyl)benzamide

Chemical Property:

• Vapor Pressure: 1.3E-06mmHg at 25°C
• Boiling Point: 400.1°Cat760mmHg
• Flash Point: 195.8°C
• PSA: 58.61000
• Density: 1.05g/cm³
• LogP: 2.43040
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 192.126263138
• Heavy Atom Count: 14
• Complexity: 165

Purity/Quality:

N-(4-Aminobutyl)benzamide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NCCCCN

Technology Process of N-(4-Aminobutyl)benzamide

There total 21 articles about N-(4-Aminobutyl)benzamide 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: 95.0%

2-phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine (76894-37-6) → N-(4-aminobutyl)benzamide (5692-23-9)

Guidance literature:

In ethanol; for 60h; Heating;

DOI:10.1002/hlca.19830660215

Reference yield: 94.0%

benzoic acid anhydride (93-97-0) + 1,4-diaminobutane (110-60-1) → N-(4-aminobutyl)benzamide (5692-23-9)

Guidance literature:

In dichloromethane; at -78 - 20 ℃; for 20h; Inert atmosphere;

DOI:10.1021/jo401082q

Reference yield: 70.0%

benzamide (55-21-0,27208-38-4) + 1,4-diaminobutane (110-60-1) → uvariadiamide (31991-78-3) + N-(4-aminobutyl)benzamide (5692-23-9)

Guidance literature:

for 15h; Heating;

upstream raw materials:

uvariadiamide

4-benzamidobutyl iodide

5-benzoylamino-valeric acid amide

2-phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine

Downstream raw materials:

1,4-diaminobutane

uvariadiamide

6-(4-benzoylamino-butylcarbamoyl)-1,3-dihydro-isoindole-2,5-dicarboxylic acid 2-tert-butyl ester