1-N,3-N-bis(2,3-dihydroxypropyl)-5-[2-(2-hydroxyethylamino)-2-oxoethoxy]-2,4,6-triiodobenzene-1,3-dicarboxamide

Base Information

• Chemical Name: 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[2-(2-hydroxyethylamino)-2-oxoethoxy]-2,4,6-triiodobenzene-1,3-dicarboxamide
• CAS No.: 104517-96-6
• Molecular Formula: C18H24I3N3O9
• Molecular Weight: 807.11100
• Hs Code.: 2924296000
• UNII: K8RN54FJV8
• Nikkaji Number: J886.038F
• Mol file: 104517-96-6.mol

Synonyms:104517-96-6;Ioversol related compound B;1-N,3-N-bis(2,3-dihydroxypropyl)-5-[2-(2-hydroxyethylamino)-2-oxoethoxy]-2,4,6-triiodobenzene-1,3-dicarboxamide;Ioversol Related Compound B (50 mg) (N,N'-bis(2,3-dihydroxypropyl)-5-[(N-(2-hydroxyethyl)-carbamoyl)methoxy]-2,4,6-triiodoisophthalamide);N,N'-Bis(2,3-dihydroxypropyl)-5-[(N-(2-hydroxyethyl)-carbamoyl)methoxy]-2,4,6-triiodoisophthalamide;N,N'-Bis(2,3-dihydroxypropyl)-5-((N-(2-hydroxyethyl)-carbamoyl)methoxy)-2,4,6-triiodoisophthalamide;K8RN54FJV8;SCHEMBL8858996;Ioversol related compound B [USP IMPURITY];F96739;1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-5-[2-[(2-hydroxyethyl)amino]-2-oxoethoxy]-2,4,6-triiodo-;N,N'-Bis(2,3-dihydroxypropyl)-5-{[N-(2-hydroxyethyl)amino]-2-oxoethoxy}-2,4,6-triiodoisophthalamide

Chemical Property of 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[2-(2-hydroxyethylamino)-2-oxoethoxy]-2,4,6-triiodobenzene-1,3-dicarboxamide

Chemical Property:

• PSA: 197.68000
• LogP: -0.67360
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 13
• Exact Mass: 806.8647
• Heavy Atom Count: 33
• Complexity: 609

Purity/Quality:

97% ^*data from raw suppliers

N,N’-Bis(2,3-dihydroxypropyl)-5-[(N-(2-hydroxyethyl)-carbamoyl)methoxy]-2,4,6-triiodoisophthalamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CO)NC(=O)COC1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I
• Uses: N,N’-Bis(2,3-dihydroxypropyl)-5-[(N-(2-hydroxyethyl)-carbamoyl)methoxy]-2,4,6-triiodoisophthalamide is an compound related to Ioversol( I737000), a nonionic, low osmolality, radiographic contrast agent. Diagnostic aid (radiopaque medium).

Technology Process of 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[2-(2-hydroxyethylamino)-2-oxoethoxy]-2,4,6-triiodobenzene-1,3-dicarboxamide

There total 1 articles about 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[2-(2-hydroxyethylamino)-2-oxoethoxy]-2,4,6-triiodobenzene-1,3-dicarboxamide 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:

5-chloroacetamido-N,N'-bis-(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide (77203-11-3) + 2-chloro-ethanol (107-07-3) → C20H28I3N3O10 + N,N'-bis(2,3-dihydroxypropyl)-5-[[N-(2-hydroxyethyl)-carbamoyl]methoxy]-2,4,6-triiodoisophthalamide (104517-96-6)

Guidance literature:

5-chloroacetamido-N,N'-bis-(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide; 2-chloro-ethanol; With hydrogenchloride; sodium acetate; sodium hydroxide; In tetrahydrofuran; water; at 50 ℃; pH=6; Flow reactor;

With 1,2-dimethoxypropane; at 100 ℃; for 5h; Reagent/catalyst; pH-value; Overall yield = 85 %; Overall yield = 617.6 g; Flow reactor;

upstream raw materials:

5-chloroacetamido-N,N'-bis-(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide

2-chloro-ethanol

Refernces