4-Amino-N,N-diethylbenzamide

Base Information

• Chemical Name: 4-Amino-N,N-diethylbenzamide
• CAS No.: 51207-85-3
• Molecular Formula: C11H16 N2 O
• Molecular Weight: 192.261
• Hs Code.: 2924299090
• European Community (EC) Number: 828-684-3
• DSSTox Substance ID: DTXSID10332566
• Nikkaji Number: J1.699.677G
• Wikidata: Q82097276
• ChEMBL ID: CHEMBL1896630
• Mol file: 51207-85-3.mol

Synonyms:4-Amino-N,N-diethylbenzamide;51207-85-3;N,N-Diethyl 4-aminobenzamide;Benzamide, 4-amino-N,N-diethyl-;4-Amino-N,N-diethyl-benzamide;MFCD00461426;p-Amino-N,N-diethylbenzamide;MLS001004526;N,N-Diethyl-4-aminobenzamide;SCHEMBL3081053;CHEMBL1896630;4-Amino-N,N-diethylbenzamide #;DTXSID10332566;HMS1754L06;HMS2701D08;AC7754;STK520586;AKOS000111667;LS-03941;SMR000348146;SY025544;BB 0246508;CS-0099709;EN300-09130;AG-690/33906040;Z55993012

Chemical Property of 4-Amino-N,N-diethylbenzamide

Chemical Property:

• Vapor Pressure: 1.23E-05mmHg at 25°C
• Melting Point: 124-125 °C
• Boiling Point: 368.9°C at 760 mmHg
• PKA: 3.02±0.10(Predicted)
• Flash Point: 176.9°C
• PSA: 46.33000
• Density: 1.068g/cm³
• LogP: 2.33200
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 192.126263138
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

98%min ^*data from raw suppliers

4-Amino-N,N-diethylbenzamide ^*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=C(C=C1)N

Technology Process of 4-Amino-N,N-diethylbenzamide

There total 6 articles about 4-Amino-N,N-diethylbenzamide 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: 99.0%

4-bromo-N,N-diethylbenzamide (5892-99-9) → 4-amino-N,N-diethylbenzamide (51207-85-3)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; lithium hexamethyldisilazane; CyJohnPhos; In 1,4-dioxane; at 80 ℃; for 15h;

DOI:10.1021/ol0166808

Reference yield: 93.0%

N,N-diethyl-4-nitrobenzamide (5323-47-7) → 4-amino-N,N-diethylbenzamide (51207-85-3)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; water; at 20 ℃; for 3h; Green chemistry;

DOI:10.1002/cssc.201901535

Reference yield: 92.0%

4-azido-N,N-diethylbenzamide (1206797-32-1) → 4-amino-N,N-diethylbenzamide (51207-85-3)

Guidance literature:

With bis(N,N-diethyldithiocarbamato)dioxomolybdenum(VI); phenylsilane; In toluene; at 100 ℃; for 5h;

DOI:10.1016/j.tet.2009.10.093

upstream raw materials:

N,N-diethyl-4-nitrobenzamide

4-bromo-N,N-diethylbenzamide

4-nitro-benzoyl chloride

4-azido-N,N-diethylbenzamide

Downstream raw materials:

N,N-Diethyl-4-[5-methyl-2-oxo-1,2-dihydro-indol-(3Z)-ylideneamino]-benzamide

5-(p-Fluorobenzylidene)-3--4-oxo-thiazolidine-2-thione

5-(p-Chlorobenzylidene)-3--4-oxo-thiazolidine-2-thione

5-(p-Methoxybenzylidene)-3--4-oxo-thiazolidine-2-thione

Refernces

• 1、 Piao, Wen,Hanaoka, Kenjiro,Fujisawa, Tomotsumi,Takeuchi, Satoshi,Komatsu, Toru,Ueno, Tasuku,Terai, Takuya,Tahara, Tahei,Nagano, Tetsuo,Urano, Yasuteru. "Development of an azo-based photosensitizer activated under mild hypoxia for photodynamic therapy". . p. 13713 - 13719. Retrieved 2017.
• 2、 Gholinejad, Mohammad,Dasvarz, Neda,Shojafar, Mohammad,Sansano, José M.. "Starch functionalized creatine for stabilization of gold nanoparticles: Efficient heterogeneous catalyst for the reduction of nitroarenes". . . Retrieved 2019/06/27.
• 3、 -. "2-phenylpyrimidine compounds, preparation method and medical application". Paragraph 0098; 0099; 0100; 0101; 0102. . Retrieved 2018/06/15.