Disofenin

Base Information

• Chemical Name: Disofenin
• CAS No.: 65717-97-7
• Molecular Formula: C18H26 N2 O5
• Molecular Weight: 350.415
• UNII: 4V891LH5NB
• DSSTox Substance ID: DTXSID90215924
• Nikkaji Number: J19.829C
• Wikidata: Q27260556
• NCI Thesaurus Code: C83680
• ChEMBL ID: CHEMBL1615780
• Mol file: 65717-97-7.mol

Synonyms:Disofenin;65717-97-7;N-(2,6-Diisopropylphenylcarbamoylmethyl)iminodiacetic acid;Disofenine;Disofenino;Disofeninum;DISIDA;DSIDA;Disofenine [INN-French];Disofeninum [INN-Latin];Disofenino [INN-Spanish];N-(2,6-DIISOPROPYLPHENYL-CARBAMOYLMETHYL)IMINODIACETIC ACID;UNII-4V891LH5NB;Disofenin [USAN:INN:BAN];2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid;4V891LH5NB;N-[[2,6-Diisopropylphenylcarbamoyl]methyl]imino;Glycine, N-(2-((2,6-bis(1-methylethyl)phenyl)amino)-2-oxoethyl)-N-(carboxymethyl)-;((((2,6-Diisopropylphenyl)carbamoyl)methyl)imino)diacetic acid;[[[(2,6-diisopropylphenyl)carbamoyl]methyl]imino]diacetic acid;2,2'-((2-((2,6-Diisopropylphenyl)amino)-2-oxoethyl)azanediyl)diacetic acid;Glycine, N-[2-[[2,6-bis(1-methylethyl)phenyl]amino]-2-oxoethyl]-N-(carboxymethyl)-;DISOFENIN [INN];DISOFENIN [II];DISOFENIN [MI];Disofenin (USAN/INN);DISOFENIN [USAN];DISOFENIN [VANDF];Disofenin [USAN:BAN:INN];MLS006010642;SCHEMBL135703;CHEMBL1615780;DTXSID90215924;CHEBI:135480;HY-B1635;MFCD00056689;AKOS017343112;N-[2-[[2,6-Bis(1-methylethyl)phenyl]amino]-2-oxoethyl]-N-(carboxymethyl)glycine;SMR001550304;CS-0013578;FT-0629092;D03873;SR-01000944437;SR-01000944437-1;Q27260556;2,2'-((2-((2,6-Diisopropylphenyl)amino)-2-oxoethyl)azanediyl)diaceticacid;2,2'-(2-(2,6-diisopropylphenylamino)-2-oxoethylazanediyl)diacetic acid;2-[Carboxymethyl-[2-(2,6-diisopropylanilino)-2-oxo-ethyl]amino]acetic acid;N-2(2,6-Diisopropylphenyl-carbamoylmethyl)iminodiacetic acid (Disofenin;Disofenin, Disofenin (N-(2,6-Diisopropylphenyl-carbamoylmethyl)-iminodiacetic acid)

Chemical Property of Disofenin

Chemical Property:

• Vapor Pressure: 1.05E-13mmHg at 25°C
• Melting Point: 196-198° (Zmbova); mp 191-192.5° (Best); mp 166-175°
• Boiling Point: 567.2 ºC at 760 mmHg
• Flash Point: 296.8ºC
• PSA: 106.94000
• Density: 1.228 g/cm3
• LogP: 2.41610
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 350.18417193
• Heavy Atom Count: 25
• Complexity: 446

Purity/Quality:

98%Min ^*data from raw suppliers

N-(2,6-Diisopropylphenylcarbamoylmethyl)iminodiacetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN(CC(=O)O)CC(=O)O
• Uses: Involved in Pharmacological studies as a ligand for identifying molecular structures for advances melanoma1Reactant involved in: ? ;Synthesis of N-(2,6-diisopropylacetanilido)-iminodiacetic acid derivatives and labeling for studies of possible hepatobiliary imaging agents2? ;Preparing labeled radiopharmaceuticals using a borohydride exchange resin3? ;Evaluation of radiopharmaceutical for cholescintigraphy4 Involved in Pharmacological studies as a ligand for identifying molecular structures for advances melanomaReactant involved in: Synthesis of N-(2,6-diisopropylacetanilido)-iminodiacetic acid derivatives and labeling for studies of possible hepatobiliary imaging agentsPreparing labeled radiopharmaceuticals using a borohydride exchange resinEvaluation of radiopharmaceutical for cholescintigraphy

Technology Process of Disofenin

There total 1 articles about Disofenin 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:

nitrilotriacetic acid (139-13-9,80751-51-5) + 2,6-diisopropylbenzenamine (24544-04-5) → N-(carboxymethyl)-N-<2-(2,6-diisopropylphenyl)amino>-2-oxoethylglycine (65717-97-7)

Guidance literature:

With pyridine; acetic anhydride; Yield given. Multistep reaction; 1.) a) 50 deg C, 15 min, b.) 70 deg C, 2 h, 2.) 75 deg C, 4 h;

DOI:10.1071/CH9822371

Reference yield:

sodium [99Tc]pertechnetate (13718-28-0,65146-78-3,131626-77-2,34316-43-3) + N-(carboxymethyl)-N-<2-(2,6-diisopropylphenyl)amino>-2-oxoethylglycine (65717-97-7) → (99m)Tc-2,6-diisopropylacetanilidoiminodiacetic acid

Guidance literature:

sodium [99Tc]pertechnetate; for 0.5h;

N-(carboxymethyl)-N-<2-(2,6-diisopropylphenyl)amino>-2-oxoethylglycine; With tin(ll) chloride; In water; at 20 ℃; for 0.5h;

upstream raw materials:

nitrilotriacetic acid

2,6-diisopropylbenzenamine

Refernces