[2-(4-hydroxyphenyl)-1-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]propanoyl]amino]ethyl]phosphonic acid

Base Information

Chemical Name:[2-(4-hydroxyphenyl)-1-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]propanoyl]amino]ethyl]phosphonic acid
CAS No.:93768-49-1
Molecular Formula:C₂₃H₃₂N₃O₇P
Molecular Weight:493.497
Hs Code.:
DSSTox Substance ID:DTXSID20918133
Wikidata:Q82890057
Metabolomics Workbench ID:98370

Synonyms:I5-B2;I5B2

Suppliers and Price of [2-(4-hydroxyphenyl)-1-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]propanoyl]amino]ethyl]phosphonic 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 2 raw suppliers

Chemical Property of [2-(4-hydroxyphenyl)-1-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]propanoyl]amino]ethyl]phosphonic acid

Chemical Property:

Density:1.334g/cm³
XLogP3:-0.9
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:493.19778737
Heavy Atom Count:34
Complexity:701

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=C(C=C2)O)P(=O)(O)O)NC
Isomeric SMILES:CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=C(C=C2)O)P(=O)(O)O)NC

Technology Process of [2-(4-hydroxyphenyl)-1-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]propanoyl]amino]ethyl]phosphonic acid

There total 5 articles about [2-(4-hydroxyphenyl)-1-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]propanoyl]amino]ethyl]phosphonic 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: 10.2%

: diethyl N-(N-methyl-L-valyl-L-tyrosyl)-1-amino-2-(4-hydoxyphenyl)ethylphosphonate

: 1557193-39-1,93768-49-1
N-(N-methyl-L-valyl-L-tyrosyl)-1-amino-2-(4-hydoxyphenyl)ethylphosphonic acid

Guidance literature:: With trimethylsilyl iodide; methyl-phenyl-thioether; In acetonitrile; at 0 ℃; for 3h;
DOI:10.1021/ml4004588

Reference yield:

: 42417-65-2
Z-MeVal-OH

: 1557193-39-1,93768-49-1
N-(N-methyl-L-valyl-L-tyrosyl)-1-amino-2-(4-hydoxyphenyl)ethylphosphonic acid

Guidance literature:: Multi-step reaction with 5 steps

1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 2,4,6-trimethyl-pyridine / N,N-dimethyl-formamide / 0 - 20 °C

2: sodium carbonate / acetonitrile; water / 20 °C

3: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 2,4,6-trimethyl-pyridine / N,N-dimethyl-formamide / 0 - 20 °C

4: palladium 10% on activated carbon; hydrogen / methanol / 760.05 Torr

5: methyl-phenyl-thioether; trimethylsilyl iodide / acetonitrile / 3 h / 0 °C

With 2,4,6-trimethyl-pyridine; trimethylsilyl iodide; methyl-phenyl-thioether; palladium 10% on activated carbon; hydrogen; sodium carbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In methanol; water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/ml4004588

Reference yield:

: 1557198-63-6
N-benzyloxycarbonyl-N-methyl-L-valyl-O-benzyl-L-tyrosine methyl ester

: 1557193-39-1,93768-49-1
N-(N-methyl-L-valyl-L-tyrosyl)-1-amino-2-(4-hydoxyphenyl)ethylphosphonic acid

Guidance literature:: Multi-step reaction with 4 steps

1: sodium carbonate / acetonitrile; water / 20 °C

2: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 2,4,6-trimethyl-pyridine / N,N-dimethyl-formamide / 0 - 20 °C

3: palladium 10% on activated carbon; hydrogen / methanol / 760.05 Torr

4: methyl-phenyl-thioether; trimethylsilyl iodide / acetonitrile / 3 h / 0 °C

With 2,4,6-trimethyl-pyridine; trimethylsilyl iodide; methyl-phenyl-thioether; palladium 10% on activated carbon; hydrogen; sodium carbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In methanol; water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/ml4004588