1,2-Propanediol, 3-[3-(chloromethyl)-2,4,6-triiodophenoxy]-

Base Information

• Chemical Name: 1,2-Propanediol, 3-[3-(chloromethyl)-2,4,6-triiodophenoxy]-
• CAS No.: 62179-99-1
• Molecular Formula: C₁₀H₁₀ClI₃O₃
• Molecular Weight: 594.354
• DSSTox Substance ID: DTXSID70487526

Synonyms:62179-99-1;1,2-Propanediol, 3-[3-(chloromethyl)-2,4,6-triiodophenoxy]-;DTXSID70487526

Chemical Property of 1,2-Propanediol, 3-[3-(chloromethyl)-2,4,6-triiodophenoxy]-

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 593.7453
• Heavy Atom Count: 17
• Complexity: 235

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1I)OCC(CO)O)I)CCl)I

Technology Process of 1,2-Propanediol, 3-[3-(chloromethyl)-2,4,6-triiodophenoxy]-

There total 2 articles about 1,2-Propanediol, 3-[3-(chloromethyl)-2,4,6-triiodophenoxy]- 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:

2,4,6-Trijod-3-amino-benzylalkohol (1460-43-1) → 3-(2,3-Dihydroxypropoxy)-2,4,6-triiodbenzylchlorid (62179-99-1)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂, Py / CHCl₃

2: (i) NO4>, AcOH, (ii) /BRN= 635685/

With pyridine; thionyl chloride; In chloroform;

DOI:10.1135/cccc19763094

Reference yield:

3-Amino-2,4,6-triiod-benzylchlorid (1076-25-1) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 3-(2,3-Dihydroxypropoxy)-2,4,6-triiodbenzylchlorid (62179-99-1)

Guidance literature:

Multistep reaction; (i) NO, AcOH, (ii) /BRN= 635685/;

DOI:10.1135/cccc19763094

Reference yield:

3-(2,3-Dihydroxypropoxy)-2,4,6-triiodbenzylchlorid (62179-99-1) + 2,2'-iminobis[ethanol] (111-42-2) → 3-(3-{[Bis-(2-hydroxy-ethyl)-amino]-methyl}-2,4,6-triiodo-phenoxy)-propane-1,2-diol (62180-16-9)

Guidance literature:

With sodium hydrogencarbonate; In ethanol;

DOI:10.1135/cccc19763094

upstream raw materials:

3-Amino-2,4,6-triiod-benzylchlorid

glycerol

2,4,6-Trijod-3-amino-benzylalkohol

Downstream raw materials:

3-(3-{[Bis-(2-hydroxy-ethyl)-amino]-methyl}-2,4,6-triiodo-phenoxy)-propane-1,2-diol

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