3-Acetamido-alpha-ethyl-2,4,6-triiodohydrocinnamic acid

Base Information

Chemical Name:3-Acetamido-alpha-ethyl-2,4,6-triiodohydrocinnamic acid
CAS No.:51374-99-3
Molecular Formula:C13H14I3NO3
Molecular Weight:612.973
Hs Code.:2924299090
DSSTox Substance ID:DTXSID90965674
Nikkaji Number:J77.814A
Mol file:51374-99-3.mol

Synonyms:N-Acetyliopanoic acid;51374-99-3;BRN 2767480;3-Acetamido-alpha-ethyl-2,4,6-triiodohydrocinnamic acid;HYDROCINNAMIC ACID, 3-ACETAMIDO-alpha-ETHYL-2,4,6-TRIIODO-;SCHEMBL19260214;DTXSID90965674;LS-77122;2-Ethyl-3-(3-acetylamino-2,4,6-triiodophenyl)propanoic acid;Benzenepropanoic acid, 3-(acetylamino)-.alpha.-ethyl-2,4,6-triiodo-;2-({3-[(1-Hydroxyethylidene)amino]-2,4,6-triiodophenyl}methyl)butanoic acid

Suppliers and Price of 3-Acetamido-alpha-ethyl-2,4,6-triiodohydrocinnamic 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 3-Acetamido-alpha-ethyl-2,4,6-triiodohydrocinnamic acid

Chemical Property:

Vapor Pressure:5.03E-15mmHg at 25°C
Boiling Point:595.4°C at 760 mmHg
Flash Point:313.9°C
PSA：69.89000
Density:2.303g/cm³
LogP:4.76160
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:612.8108
Heavy Atom Count:20
Complexity:367

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(CC1=C(C(=C(C=C1I)I)NC(=O)C)I)C(=O)O

Technology Process of 3-Acetamido-alpha-ethyl-2,4,6-triiodohydrocinnamic acid

There total 2 articles about 3-Acetamido-alpha-ethyl-2,4,6-triiodohydrocinnamic 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:

: 96-83-3
iopanoic acid

: 75-36-5
acetyl chloride

: 51374-99-3
2-(3-acetamido-2,4,6-triiodobenzyl)butanoic acid

Guidance literature:: In tetrahydrofuran; at 20 ℃; for 18h;

Reference yield:

: 51374-99-3
2-(3-acetamido-2,4,6-triiodobenzyl)butanoic acid

Guidance literature:: 2-Aethyl-3-<2,4,6-trijod-3-amino-phenyl>-propionsaeure + Acetanhydrid ;

Reference yield: 72.0%

: 6066-82-6
1-hydroxy-pyrrolidine-2,5-dione

: 51374-99-3
2-(3-acetamido-2,4,6-triiodobenzyl)butanoic acid

: C₁₇H₁₇I₃N₂O₅

Guidance literature:: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 3h; Inert atmosphere;