N,N-Diethyl-2,3-dimethylbenzamide

Base Information

• Chemical Name: N,N-Diethyl-2,3-dimethylbenzamide
• CAS No.: 57806-76-5
• Molecular Formula: C13H19NO
• Molecular Weight: 205.3
• DSSTox Substance ID: DTXSID20575907
• Wikidata: Q82465354
• Mol file: 57806-76-5.mol

Synonyms:N,N-Diethyl-2,3-dimethylbenzamide;57806-76-5;SCHEMBL509012;DTXSID20575907;N,N-diethylmethyl-3-methylbenzamide;N, N-diethyl-2,3-dimethylbenzamide;N,N-diethyl-2,3-dimethyl-benzamide;N,N-Diethyl-o-xylene-3-carboxamide;MFCD06797096;AKOS008930100;AS-75989;D2956;D90138;A869578

Chemical Property of N,N-Diethyl-2,3-dimethylbenzamide

Chemical Property:

• Vapor Pressure: 5.01E-05mmHg at 25°C
• Refractive Index: 1.516
• Boiling Point: 348.5°C at 760 mmHg
• Flash Point: 156.5°C
• PSA: 20.31000
• Density: 0.976g/cm³
• LogP: 2.78540
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 205.146664230
• Heavy Atom Count: 15
• Complexity: 211

Purity/Quality:

98% ^*data from raw suppliers

N,N-Diethyl-2,3-dimethylbenzamide >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=O)C1=CC=CC(=C1C)C

Technology Process of N,N-Diethyl-2,3-dimethylbenzamide

There total 7 articles about N,N-Diethyl-2,3-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: 72.0%

diethylamine (109-89-7) + 2,3-dimethylbenzoic acid (603-79-2) → N,N-diethyl-2,3-dimethyl benzamide (57806-76-5)

Guidance literature:

2,3-dimethylbenzoic acid; With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 0.833333h;

diethylamine; In dichloromethane; N,N-dimethyl-formamide; for 18h;

Reference yield:

3-(5-ethyl-2-hydroxymethyl-3-methylpyrrolidin-1-yl)propionitrile (1018817-99-6) → N,N-diethyl-2,3-dimethyl benzamide (57806-76-5) + 3-[2-(5-ethyl-2-hydroxymethyl-3-methylpyrrolidin-1-yl)ethyl]-5-methyl-2H-isoquinolin-1-one (1018817-44-1)

Guidance literature:

Reference yield:

3-[(2S,4R,5R)-4,5-dimethyl-2-hydroxymethylpyrrolidin-1-yl]propionitrile (1018818-03-5) → N,N-diethyl-2,3-dimethyl benzamide (57806-76-5) + 3-(2-[(2S,4R,5R)-4,5-dimethyl-2-hydroxymethylpyrrolidin-1-yl]ethyl)-5-methyl-2H-isoquinolin-1-one (1018817-45-2)

Guidance literature:

upstream raw materials:

3-(5-ethyl-2-hydroxymethyl-3-methylpyrrolidin-1-yl)propionitrile

3-[(2S,4R,5R)-4,5-dimethyl-2-hydroxymethylpyrrolidin-1-yl]propionitrile

3-[(2R,4S)-2-hydroxymethyl-4-methylpyrrolidin-1-yl]propionitrile

4-[(2R,4R)-4-hydroxy-2-hydroxymethylpyrrolidin-1-yl]butyronitrile

Downstream raw materials:

(+/-)-3-(1-benzylpyrrolidin-3-yl)-5-methyl-2H-isoquinolin-1-one

(R)-N,N-diethyl-2-[4-(3-hydroxypyrrolidin-1-yl)-2-oxobutyl]-3-methylbenzamide

benzyl-[3-(1,5-dimethyl-1H-pyrrol-2-yl)-5-methyl-isoquinolin-1-yl]-amine

5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one