2-(3-(N-Methylacetamido)-2,4,6-triiodophenyl)butyric acid

Base Information

Chemical Name:2-(3-(N-Methylacetamido)-2,4,6-triiodophenyl)butyric acid
CAS No.:23217-82-5
Molecular Formula:C13H14 I3 N O3
Molecular Weight:612.9686
Hs Code.:2924299090
DSSTox Substance ID:DTXSID00945902
Nikkaji Number:J42.919H
Mol file:23217-82-5.mol

Synonyms:BRN 3037691;23217-82-5;2-(3-(N-Methylacetamido)-2,4,6-triiodophenyl)butyric acid;BUTYRIC ACID, 2-(3-(N-METHYLACETAMIDO)-2,4,6-TRIIODOPHENYL)-;DTXSID00945902;LS-48105;2-{3-[Acetyl(methyl)amino]-2,4,6-triiodophenyl}butanoic acid;Butyric acid, 2-[2,4,6-triiodo-3-(N-methylacetamido)phenyl]-;2-[2,4,6-Triiodo-3-[N-methyl(acetyl)amino]phenyl]butyric acid

Suppliers and Price of 2-(3-(N-Methylacetamido)-2,4,6-triiodophenyl)butyric acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 2-(3-(N-Methylacetamido)-2,4,6-triiodophenyl)butyric acid

Chemical Property:

Vapor Pressure:3.31E-15mmHg at 25°C
Boiling Point:599.2°Cat760mmHg
Flash Point:316.2°C
PSA：57.61000
Density:2.283g/cm³
LogP:4.06130
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:612.8108
Heavy Atom Count:20
Complexity:380

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C1=C(C(=C(C=C1I)I)N(C)C(=O)C)I)C(=O)O

Technology Process of 2-(3-(N-Methylacetamido)-2,4,6-triiodophenyl)butyric acid

There total 7 articles about 2-(3-(N-Methylacetamido)-2,4,6-triiodophenyl)butyric 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:

: 17408-16-1
3'-nitropropiophenone

: 23217-82-5
2-[3-(Acetyl-methyl-amino)-2,4,6-triiodo-phenyl]-butyric acid

Guidance literature:: Multi-step reaction with 8 steps

1: NaBH₄ / methanol

2: aq. HBr / acetic acid

3: ethanol

4: aq. H₂SO₄

5: H₂ / Raney-Ni / ethanol

6: KICl₂, aq. HCl

7: (i) H₂SO₄, (ii) aq. NaOH

8: aq. KOH / acetone

With hydrogenchloride; potassium hydroxide; sodium tetrahydroborate; K⁽¹⁺⁾*Cl₂I^(1-); sulfuric acid; hydrogen bromide; hydrogen; nickel; In methanol; ethanol; acetic acid; acetone;
DOI:10.1021/jm00297a057

Reference yield:

: 29067-56-9
1-Bromo-1-(3-nitro-phenyl)-propan

: 23217-82-5
2-[3-(Acetyl-methyl-amino)-2,4,6-triiodo-phenyl]-butyric acid

Guidance literature:: Multi-step reaction with 6 steps

1: ethanol

2: aq. H₂SO₄

3: H₂ / Raney-Ni / ethanol

4: KICl₂, aq. HCl

5: (i) H₂SO₄, (ii) aq. NaOH

6: aq. KOH / acetone

With hydrogenchloride; potassium hydroxide; K⁽¹⁺⁾*Cl₂I^(1-); sulfuric acid; hydrogen; nickel; In ethanol; acetone;
DOI:10.1021/jm00297a057

Reference yield:

: 29067-53-6
α-ethyl-3-nitrobenzyl alcohol

: 23217-82-5
2-[3-(Acetyl-methyl-amino)-2,4,6-triiodo-phenyl]-butyric acid

Guidance literature:: Multi-step reaction with 7 steps

1: aq. HBr / acetic acid

2: ethanol

3: aq. H₂SO₄

4: H₂ / Raney-Ni / ethanol

5: KICl₂, aq. HCl

6: (i) H₂SO₄, (ii) aq. NaOH

7: aq. KOH / acetone

With hydrogenchloride; potassium hydroxide; K⁽¹⁺⁾*Cl₂I^(1-); sulfuric acid; hydrogen bromide; hydrogen; nickel; In ethanol; acetic acid; acetone;
DOI:10.1021/jm00297a057