4-Amino-N-(2-(diethylamino)ethyl)-3,5-dimethylbenzamide

Base Information

• Chemical Name: 4-Amino-N-(2-(diethylamino)ethyl)-3,5-dimethylbenzamide
• CAS No.: 112740-74-6
• Molecular Formula: C15H25 N3 O
• Molecular Weight: 263.38
• DSSTox Substance ID: DTXSID40150159
• Wikidata: Q83016121
• ChEMBL ID: CHEMBL26504
• Mol file: 112740-74-6.mol

Synonyms:4-ADEDB;4-amino-N-(2-(diethylamino)ethyl)-3,5-dimethylbenzamide;4-amino-N-(2-(diethylamino)ethyl)-3,5-dimethylbenzamide dihydrochloride

Chemical Property of 4-Amino-N-(2-(diethylamino)ethyl)-3,5-dimethylbenzamide

Chemical Property:

• Vapor Pressure: 3.64E-06mmHg at 25°C
• Boiling Point: 386°C at 760 mmHg
• Flash Point: 187.3°C
• PSA: 58.36000
• Density: 1.035g/cm³
• LogP: 2.92930
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 263.199762429
• Heavy Atom Count: 19
• Complexity: 267

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCNC(=O)C1=CC(=C(C(=C1)C)N)C

Technology Process of 4-Amino-N-(2-(diethylamino)ethyl)-3,5-dimethylbenzamide

There total 3 articles about 4-Amino-N-(2-(diethylamino)ethyl)-3,5-dimethylbenzamide 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:

N-<2-(dimethylamino)ethyl>-3,5-dimethyl-4-nitrobenzamide (112740-69-9) → 4-amino-N-[2-(dimethylamino)ethyl]-3,5-dimethylbenzamide (112740-74-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; under 3102.9 Torr;

DOI:10.1021/jm00402a006

Reference yield:

3,5-dimethyl-4-nitrobenzoic acid (3095-38-3) → 4-amino-N-[2-(dimethylamino)ethyl]-3,5-dimethylbenzamide (112740-74-6)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride / 1 h / Heating

2: tetrahydrofuran / Ambient temperature

3: H₂ / Pd/C / tetrahydrofuran / 3102.9 Torr

With thionyl chloride; hydrogen; palladium on activated charcoal; In tetrahydrofuran;

DOI:10.1021/jm00402a006

Reference yield:

3,5-dimethyl-4-nitrobenzoic acid chloride (3558-73-4) → 4-amino-N-[2-(dimethylamino)ethyl]-3,5-dimethylbenzamide (112740-74-6)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / Ambient temperature

2: H₂ / Pd/C / tetrahydrofuran / 3102.9 Torr

With hydrogen; palladium on activated charcoal; In tetrahydrofuran;

DOI:10.1021/jm00402a006

upstream raw materials:

N-<2-(dimethylamino)ethyl>-3,5-dimethyl-4-nitrobenzamide

3,5-dimethyl-4-nitrobenzoic acid

3,5-dimethyl-4-nitrobenzoic acid chloride

Refernces