(2S)-2-amino-3-[4-[(4-hydroxy-3,5-diiodophenyl)methyl]-3,5-diiodophenyl]propanoic acid

Base Information

Chemical Name:(2S)-2-amino-3-[4-[(4-hydroxy-3,5-diiodophenyl)methyl]-3,5-diiodophenyl]propanoic acid
CAS No.:38896-90-1
Molecular Formula:C₁₆H₁₃I₄NO₃
Molecular Weight:774.902
Hs Code.:
DSSTox Substance ID:DTXSID70433063
Wikidata:Q82247190
ChEMBL ID:CHEMBL4778520
Mol file:38896-90-1.mol

Synonyms:CHEMBL4778520;CTK1B4545;38896-90-1;DTXSID70433063;BDBM50565696

Suppliers and Price of (2S)-2-amino-3-[4-[(4-hydroxy-3,5-diiodophenyl)methyl]-3,5-diiodophenyl]propanoic acid

Supply Marketing:

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

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Chemical Property of (2S)-2-amino-3-[4-[(4-hydroxy-3,5-diiodophenyl)methyl]-3,5-diiodophenyl]propanoic acid

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:774.7074
Heavy Atom Count:24
Complexity:418

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C=C(C(=C1I)O)I)CC2=C(C=C(C=C2I)CC(C(=O)O)N)I
Isomeric SMILES:C1=C(C=C(C(=C1I)O)I)CC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I

Technology Process of (2S)-2-amino-3-[4-[(4-hydroxy-3,5-diiodophenyl)methyl]-3,5-diiodophenyl]propanoic acid

There total 3 articles about (2S)-2-amino-3-[4-[(4-hydroxy-3,5-diiodophenyl)methyl]-3,5-diiodophenyl]propanoic 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:

: 38869-01-1
3-(4-methoxy-phenyl)-4-nitro-benzo[c]isoxazole-6-carboxylic acid methyl ester

: 38896-90-1
2-Amino-3-[4-(4-hydroxy-3,5-diiodo-benzyl)-3,5-diiodo-phenyl]-propionic acid

Guidance literature:: Multi-step reaction with 5 steps

1: (i) H₂, Raney-Ni, MeOH, (ii) NaNO₂, H₂SO₄, AcOH, (iii) I₂, aq. KI, urea, CHCl₃

2: (i) aq. HCl, AcOH, (ii) B₂H₆, THF

3: SOCl₂ / dimethylformamide; benzene

4: (i) NaOEt, (ii) aq. HI, AcOH

5: I₂, KI, aq. MeNH₂

With thionyl chloride; iodine; methylamine; potassium iodide; In N,N-dimethyl-formamide; benzene;
DOI:10.1021/jm00259a017

Reference yield:

: 38896-92-3
2-Amino-3-[4-(4-hydroxy-benzyl)-3,5-diiodo-phenyl]-propionic acid

: 38896-90-1
2-Amino-3-[4-(4-hydroxy-3,5-diiodo-benzyl)-3,5-diiodo-phenyl]-propionic acid

Guidance literature:: With iodine; methylamine; potassium iodide;
DOI:10.1021/jm00259a017

Reference yield:

: 40279-83-2
3,5-diiodo-4-(4-methoxybenzyl)benzyl chloride

: 38896-90-1
2-Amino-3-[4-(4-hydroxy-3,5-diiodo-benzyl)-3,5-diiodo-phenyl]-propionic acid

Guidance literature:: Multi-step reaction with 2 steps

1: (i) NaOEt, (ii) aq. HI, AcOH

2: I₂, KI, aq. MeNH₂

With iodine; methylamine; potassium iodide;
DOI:10.1021/jm00259a017