N,N,N',N'-Tetraethylphthalamide

Base Information

• Chemical Name: N,N,N',N'-Tetraethylphthalamide
• CAS No.: 83-81-8
• Molecular Formula: C16H24 N2 O2
• Molecular Weight: 276.379
• Hs Code.: 2924299090
• European Community (EC) Number: 201-504-5
• NSC Number: 16071
• UNII: 22TJ09HM80
• DSSTox Substance ID: DTXSID6058899
• Nikkaji Number: J192.611J
• Wikidata: Q27253666
• Mol file: 83-81-8.mol

Synonyms:Neospiran;Analetil;Geastigmol;Geastimol;83-81-8;o-Phthalic acid bis(diethylamide);Cardiovital;Unispiran;neo-Cardiamine;Phthalethamide;N,N,N',N'-Tetraethylphthalamide;Coretonin;1,2-Benzenedicarboxamide, N,N,N',N'-tetraethyl-;Tetraethylbis(phthalamide);TETRAETHYLPHTHALAMIDE;o-Phthalylbis(diethylamide);EINECS 201-504-5;NSC 16071;Phthalamide, N,N,N',N'-tetraethyl-;BRN 2506823;Bis-diethylamid kyseliny ftalove [Czech];UNII-22TJ09HM80;AI3-20596;Bis-diethylamid kyseliny ftalove;orthophthalic acid didiethylamide;N,N,N',N'-Tetraethyl-1,2-benzenedicarboxamide;22TJ09HM80;1,2-Benzenedicarboxamide, N1,N1,N2,N2-tetraethyl-;NSC-16071;N,N,N',N'-tetraethylbenzene-1,2-dicarboxamide;4-09-00-03266 (Beilstein Handbook Reference);o-Phthalic acid bis[diethylamide];1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide;Tetraethylbisphthalamide;o-Phthalyl-bis-diethylamide;SCHEMBL610480;N,N',N'-Tetraethylphthalamide;1, N,N,N',N'-tetraethyl-;DTXSID6058899;N,N,N',N'-Tetraaethylphthalamid;CHEBI:135143;Phthalamide,N,N',N'-tetraethyl-;NSC16071;N1,N1,N2,N2-tetraethylphthalamide;STK493679;AKOS003239261;LS-109088;FT-0631384;N~1~,N~1~,N~2~,N~2~-tetraethylphthalamide;Q27253666

Chemical Property of N,N,N',N'-Tetraethylphthalamide

Chemical Property:

• Melting Point: 39°
• Refractive Index: 1.5800 (estimate)
• Boiling Point: bp 175-180°
• Flash Point: 196.9oC
• PSA: 40.62000
• Density: 1.0209 (rough estimate)
• LogP: 2.65060
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 276.183778013
• Heavy Atom Count: 20
• Complexity: 290

Purity/Quality:

98%min ^*data from raw suppliers

TETRAETHYLBISPHTHALAMIDE 98.00% ^*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(=O)N(CC)CC

Technology Process of N,N,N',N'-Tetraethylphthalamide

There total 9 articles about N,N,N',N'-Tetraethylphthalamide 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: 71.0%

Phthaloyl dichloride (88-95-9) + N,N-diethyl-1,1,1-trimethylsilanamine (996-50-9) → N,N-diethyl 2-(N,N-diethylcarboxamido)benzamide (83-81-8)

Guidance literature:

In hexane; Ambient temperature;

DOI:10.1021/jo00170a050

Reference yield: 56.0%

diethylamine (109-89-7) + benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5) → N,N-diethyl 2-(N,N-diethylcarboxamido)benzamide (83-81-8)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; benzenesulfonyl chloride; In acetone; at 20 - 23 ℃; for 0.0833333h;

Reference yield:

2-(diethylcarbamoyl)benzoic acid (4166-52-3) → N,N-diethyl 2-(N,N-diethylcarboxamido)benzamide (83-81-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / SOCl₂ / CHCl₃ / 2 h / Heating

2: H₂, quinoline, S / 10percent Pd/BaSO₄ / xylene / Heating

With quinoline; thionyl chloride; hydrogen; Pd-BaSO₄; In chloroform; xylene;

DOI:10.1002/ardp.19813140804

upstream raw materials:

diethylamine

Phthaloyl dichloride

C₁₈H₂₄N₂O₂S₄

Phthalsaeure-mono-(N,N-diethylamid)-chlorid

Downstream raw materials:

N,N,N',N'-Tetraethyl-3,6-diiodo-phthalamide

N,N,N',N'-Tetraethyl-3,6-bis-methylsulfanyl-phthalamide

3,6-Dibromo-N,N,N',N'-tetraethyl-phthalamide

N,N,N',N'-Tetraethyl-3,6-bis-trimethylsilanyl-phthalamide

Refernces

Design, synthesis and biological evaluation of 1-Phenyl-2-(phenylamino) Ethanone Derivatives as Novel MCR-1 Inhibitors

10.3390/molecules24152719

This research focuses on the design, synthesis, and biological evaluation of 1-phenyl-2-(phenylamino)ethanone derivatives as novel MCR-1 inhibitors to combat colistin resistance caused by the mcr-1 gene. The study identified racemic compound 3 as a potential MCR-1 inhibitor through virtual screening, and subsequently, 26 derivatives were synthesized and evaluated for their inhibitory activity. The most potent compounds, 6p and 6q, were found to effectively inhibit the growth of E. coli BL21(DE3) expressing mcr-1 when combined with colistin. These compounds were also shown to inhibit the enzymatic activity of MCR-1 in vitro. Molecular docking studies revealed that the active compounds interact with key amino acids in the MCR-1 protein, providing insights into their mechanism of action. The research highlights the potential of these compounds as a strategy to overcome colistin resistance and suggests further optimization and development of MCR-1 inhibitors.

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