1,4-Benzenedicarboxamide, N,N'-diethyl-2,3-dihydroxy-

Base Information

• Chemical Name: 1,4-Benzenedicarboxamide, N,N'-diethyl-2,3-dihydroxy-
• CAS No.: 117918-05-5
• Molecular Formula: C12H16N2O4
• Molecular Weight: 252.27
• DSSTox Substance ID: DTXSID90476578
• Nikkaji Number: J1.684.273G
• Wikidata: Q82308099
• Mol file: 117918-05-5.mol

Synonyms:117918-05-5;1,4-Benzenedicarboxamide, N,N'-diethyl-2,3-dihydroxy-;SCHEMBL17748296;DTXSID90476578;2,3-dihydroxy-N,N'-diethylterephthalamide

Chemical Property of 1,4-Benzenedicarboxamide, N,N'-diethyl-2,3-dihydroxy-

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 252.11100700
• Heavy Atom Count: 18
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCNC(=O)C1=C(C(=C(C=C1)C(=O)NCC)O)O

Technology Process of 1,4-Benzenedicarboxamide, N,N'-diethyl-2,3-dihydroxy-

There total 1 articles about 1,4-Benzenedicarboxamide, N,N'-diethyl-2,3-dihydroxy- 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:

2,3-dihydroxyterephthalic acid (19829-72-2) + ethylamine (75-04-7,85404-22-4) → N,N'-diethyl-2,3-dihydroxyterephthalamide (117918-05-5)

Guidance literature:

2,3-dihydroxyterephthalic acid; With thionyl chloride; In 1,4-dioxane; for 6h; Heating;

ethylamine; With triethylamine; Further stages.;

DOI:10.1021/ol016253u

Reference yield: 86.0%

tetrakis(2,4-pentanedionato)thorium(IV) + potassium hydroxide + N,N'-diethyl-2,3-dihydroxyterephthalamide (117918-05-5) → K4[Th2(N,N'-diethyl-2,3-dihydroxyterephthalamide(2-))6]*16H2O

Guidance literature:

In methanol; under Ar atm. to soln. ligand in MeOH soln. Th(acac)4 in MeOH (3:1) was added, heated to reflux temp. for 16 h and concd. by evapn., residue wasdissolved in MeOH, 0.5 M KOH was added, soln. was stirred for 3 h; solvent was evapd., residue was dissolved in MeOH and purified on Sephadex LH-20 column, soln. was evapd.; elem. anal.;

DOI:10.1021/ic0496267

Reference yield: 38.7%

methanol (67-56-1) + titanium(IV) tetraethanolate + potassium hydroxide + N,N'-diethyl-2,3-dihydroxyterephthalamide (117918-05-5) → (K(μ-methanol))2[Ti(methoxide)2(N,N'-diethyl-2,3-dihydroxyterephthalamide)2]

Guidance literature:

In methanol; potassium hydroxide; aq. KOH; (N2); addn. of methanolic soln. of titanium compd. to methanolic soln. of terephthalamide deriv., stirring for 2 h, addn. of aq. soln. of KOH, stirring for 2 h; concg., keeping for 2 wks, isolation of crystals, elem. anal.;

DOI:10.1021/ic901177c

upstream raw materials:

2,3-dihydroxyterephthalic acid

ethylamine