Etifenin

Base Information

• Chemical Name: Etifenin
• CAS No.: 63245-28-3
• Molecular Formula: C16H22N2O5
• Molecular Weight: 322.361
• Hs Code.: 2924299090
• European Community (EC) Number: 264-041-8
• UNII: MH922908EB
• DSSTox Substance ID: DTXSID2045492
• Nikkaji Number: J19.445J
• Wikidata: Q27164840
• NCI Thesaurus Code: C81067
• ChEMBL ID: CHEMBL1323453
• Mol file: 63245-28-3.mol

Synonyms:Etifenin;63245-28-3;N-(2,6-Diethylphenylcarbamoylmethyl)iminodiacetic acid;Etifeninum;Etifenia;Etifenine;Etifenino;Etifenia [Spanish];Etifeninum [Latin];2-[carboxymethyl-[2-(2,6-diethylanilino)-2-oxoethyl]amino]acetic acid;E-HIDA;Etifenine [INN-French];Etifeninum [INN-Latin];Etifenino [INN-Spanish];Etifenin [USAN:INN:BAN];UNII-MH922908EB;DTXSID2045492;NIOSH/AG9712500;MH922908EB;Etifenin (USAN);EINECS 264-041-8;NCGC00016902-01;ETIFENIN [USAN];CAS-63245-28-3;AG97125000;DTXCID0025492;((((2,6-Diethylphenyl)carbamoyl)methyl)imino)diacetic acid;[[[(2,6-Diethylphenyl)carbamoyl]methyl]imino]diacetic acid;N-(N'-(2,6-Diethylphenyl)carbamoylmethyl)iminoacetic acid;2,2'-(N-(2,6-Diethylphenylcarbamoylmethyl)imino)diacetic acid;Acetic acid, 2,2'-(N-(2,6-diethylphenylcarbamoylmethyl)imino)di-;2,2'-((2-((2,6-Diethylphenyl)amino)-2-oxoethyl)azanediyl)diacetic acid;Glycine, N-(carboxymethyl)-N-(2-((2,6-diethylphenyl)amino)-2-oxoethyl)-;Glycine, N-(carboxymethyl)-N-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-;Prestwick_843;EHIDA Kit;ETIFENIN [INN];Prestwick0_000504;Prestwick1_000504;Prestwick2_000504;Prestwick3_000504;BSPBio_000427;Etifenin [USAN:BAN:INN];MLS002153849;SCHEMBL487233;SPBio_002348;BPBio1_000471;CHEMBL1323453;CHEBI:93120;HMS1569F09;HMS2096F09;HMS2234J19;HMS3373I15;HMS3713F09;BCP31454;Tox21_110673;MFCD00059631;AKOS015838614;Tox21_110673_1;CCG-220504;NCGC00016902-02;NCGC00016902-04;AS-55971;SMR001233209;CS-0205903;D1735;FT-0766865;D04096;D89917;SR-01000841826;SR-01000841826-2;W-104923;BRD-K63979671-001-03-6;N-(2,6-Diethylphenylcarbomoylmethyl)iminodiacetic acdi;Q27164840;N-(2,6-DIETHYLPHENYLCARBAMOYLMETHYL)IMINODIACETICACID;2,2'-(2-(2,6-diethylphenylamino)-2-oxoethylazanediyl)diacetic acid

Chemical Property of Etifenin

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 2.08E-14mmHg at 25°C
• Melting Point: 187-190 °C
• Refractive Index: 1.5800 (estimate)
• Boiling Point: 582.5 °C at 760 mmHg
• PKA: 1.69±0.10(Predicted)
• Flash Point: 306.1 °C
• PSA: 106.94000
• Density: 1.285 g/cm³
• LogP: 1.29410
• Water Solubility.: SOLUBLE
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 322.15287181
• Heavy Atom Count: 23
• Complexity: 399

Purity/Quality:

99% ^*data from raw suppliers

N-(2,6-Diethylphenylcarbamoylmethyl)iminodiacetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)CN(CC(=O)O)CC(=O)O
• Uses: Diagnostic agent;Chelating agent

Technology Process of Etifenin

There total 1 articles about Etifenin 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:

2,6-diethylaniline (579-66-8) + nitrilotriacetic acid (139-13-9,80751-51-5) → N-(carboxymethyl)-N-<2-(2,6-diethylphenyl)amino>2-oxoethylglycine (63245-28-3)

Guidance literature:

With pyridine; acetic acid; Yield given. Multistep reaction; 1.) a.) 50 deg C, 15 min, b.) 70 deg C, 2 h, 2.) 80 deg C, 2 h;

DOI:10.1071/CH9822371

Reference yield:

gallium(III) nitrate + N-(carboxymethyl)-N-<2-(2,6-diethylphenyl)amino>2-oxoethylglycine (63245-28-3) → C32H40GaN4O10(1-)

Guidance literature:

With hydrogenchloride; nitric acid; sodium hydroxide; In water; pH=4;

DOI:10.1002/zaac.201600016

Reference yield:

lutetium(III) trichloride hexahydrate + N-(carboxymethyl)-N-<2-(2,6-diethylphenyl)amino>2-oxoethylglycine (63245-28-3) → C32H40LuN4O10(1-)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In water; pH=6;

DOI:10.1002/zaac.201600016

upstream raw materials:

2,6-diethylaniline

nitrilotriacetic acid

Refernces