N-[3-(diethylamino)propyl]benzamide

Base Information

• Chemical Name: N-[3-(diethylamino)propyl]benzamide
• CAS No.: 66999-80-2
• Molecular Formula: C14H22N2O
• Molecular Weight: 234.341
• European Community (EC) Number: 266-536-4
• DSSTox Substance ID: DTXSID00877638
• Nikkaji Number: J310.179G
• Wikidata: Q82859478
• ChEMBL ID: CHEMBL4516278
• Mol file: 66999-80-2.mol

Synonyms:N-[3-(diethylamino)propyl]benzamide;66999-80-2;EINECS 266-536-4;N-(3-(Diethylamino)propyl)benzamide;SCHEMBL9628332;CHEMBL4516278;DTXSID00877638;AKOS003244683;BENZAMIDE,N-(3-DIETHYLAMINOPROPYL);AB00082565-01;SR-01000206685;SR-01000206685-1

Chemical Property of N-[3-(diethylamino)propyl]benzamide

Chemical Property:

• Vapor Pressure: 1.63E-06mmHg at 25°C
• Boiling Point: 397.1°C at 760 mmHg
• Flash Point: 194°C
• PSA: 35.83000
• Density: 0.992g/cm³
• LogP: 2.72310
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 234.173213330
• Heavy Atom Count: 17
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

N-[3-(DIETHYLAMINO)PROPYL]BENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCCNC(=O)C1=CC=CC=C1

Technology Process of N-[3-(diethylamino)propyl]benzamide

There total 2 articles about N-[3-(diethylamino)propyl]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: 60.0%

benzoyl chloride (98-88-4) + diethylaminopropylamine (104-78-9) → N-(3-(diethylamino)-propyl)benzamide (66999-80-2)

Guidance literature:

With sodium hydroxide; In water; at 5 ℃; for 1h;

DOI:10.1002/hlca.19830660215

Reference yield:

→ N-(3-(diethylamino)-propyl)benzamide (66999-80-2)

Guidance literature:

(C2H5)2-N-(CH2)3-NH2, Benzoylchlorid, Pyridin;

DOI:10.1002/oms.1210130105

Reference yield:

N-(3-(diethylamino)-propyl)benzamide (66999-80-2) → diethylaminopropylamine (104-78-9) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

With Ag/γ-Al2O3 (5 mol%); potassium tert-butylate; hydrogen; In 1,4-dioxane; at 170 ℃; for 120h; under 45004.5 Torr; chemoselective reaction; Green chemistry;

DOI:10.1039/c8cy00112j

upstream raw materials:

benzoyl chloride

diethylaminopropylamine

Downstream raw materials:

diethylaminopropylamine

benzyl alcohol

Refernces