rac-5-Amino-N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamic acid

Base Information

• Chemical Name: rac-5-Amino-N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamic acid
• CAS No.: 111453-32-8
• Molecular Formula: C11H11I3N2O5
• Molecular Weight: 631.92900
• European Community (EC) Number: 601-093-6
• DSSTox Substance ID: DTXSID40473936
• Nikkaji Number: J1.315.312D
• Mol file: 111453-32-8.mol

Synonyms:111453-32-8;5-Amino-N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide Acid;rac-5-Amino-N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamic acid;3-amino-5-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodobenzoic acid;3-Amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodo-benzoic Acid;3-Amino-5-((2,3-dihydroxypropyl)carbamoyl)-2,4,6-triiodobenzoic acid;URFBLIYCWAORDM-UHFFFAOYSA-N;ZK39211;AGN-PC-00GZVS;EC 601-093-6;SCHEMBL8063055;DTXSID40473936;FT-0661727;NS00003101;J-002577;5-amino-2,4,6-triiodoisophthalic acid mono-(2,3-dihydroxy-propyl) amide

Chemical Property of rac-5-Amino-N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 599.064oC at 760 mmHg
• PKA: 1.22±0.10(Predicted)
• Flash Point: 316.102oC
• PSA: 136.37000
• Density: 2.642g/cm3
• LogP: 2.01980
• Storage Temp.: Refrigerator
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 631.7802
• Heavy Atom Count: 21
• Complexity: 400

Purity/Quality:

99.9% ^*data from raw suppliers

5-Amino-N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamideAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(CO)O)NC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)O)I
• Uses: Intermediate in the preparation of Iopromide.

Technology Process of rac-5-Amino-N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamic acid

There total 1 articles about rac-5-Amino-N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamic acid 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: 90.0%

→ 5-amino-N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamic acid (111453-32-8)

Guidance literature:

Reference yield:

5-amino-N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamic acid (111453-32-8) → 5-amino-N,N'-bis[2,3-bis(acetyloxy)propyl]2,4,6-triiodo-1,3-benzenedicarboxamide (76801-94-0)

Guidance literature:

With dmap; acetic anhydride; In ethanol; ethyl acetate;

Downstream raw materials:

5-amino-N,N'-bis[2,3-bis(acetyloxy)propyl]2,4,6-triiodo-1,3-benzenedicarboxamide

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