2-Hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide

Base Information

• Chemical Name: 2-Hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide
• CAS No.: 137888-49-4
• Deprecated CAS: 81015-67-0
• Molecular Formula: C23H25F3N4O5
• Molecular Weight: 494.471
• UNII: SIO2UEZ19H
• DSSTox Substance ID: DTXSID301001709
• Nikkaji Number: J245.623K
• Wikidata: Q27075893
• Pharos Ligand ID: FPRJKQ4JVNA5
• ChEMBL ID: CHEMBL280822
• Mol file: 137888-49-4.mol

Synonyms:1-(2-((3-carbamoyl-4-hydroxy)phenoxy)ethylamino)-3-(4-(1-methyl-4-trifluoromethyl-2-imidazoylyl)phenoxy)-2-propanol methanesulfonate;2-hydroxy-5-(2-(hydroxy-3-(4-((1-methyl-4-trifluoromethyl)-1H-imidazol-2-yl)phenoxy)propyl)aminoethoxy)benzamide;CGP 20712;CGP 20712A;CGP 26505;CGP-20712;CGP-20712-A;CGP-20712A;CGP-26505

Chemical Property of 2-Hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide

Chemical Property:

• Boiling Point: 736.0±70.0 °C(Predicted)
• PKA: 8.72±0.20(Predicted)
• PSA: 131.86000
• Density: 1.40
• LogP: 3.40990
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 494.17770440
• Heavy Atom Count: 35
• Complexity: 666

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(N=C1C2=CC=C(C=C2)OCC(CNCCOC3=CC(=C(C=C3)O)C(=O)N)O)C(F)(F)F

Technology Process of 2-Hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide

There total 6 articles about 2-Hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide 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:

methanolic hydrochloric acid + 2,3-dihydro-2,2-dimethyl-7-(2-oxoethoxy)-4H-1,3-benzoxazin-4-one + 1-amino-3-[4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)-phenoxy]-2-propanol (81014-92-8) → 1-[2-((3-carbamoyl-4-hydroxy)phenoxy)ethylamino]-3-[4-(1-methyl-4-trifluoromethyl-2-imidazolyl)phenoxy]propan-2-ol (137888-49-4,81015-67-0)

Guidance literature:

With potassium hydroxide; ammonia; sodium cyanoborohydride; molecular sieve; In methanol; chloroform;

Reference yield:

sodium salt of 1-[2-(3-carboxy-4-hydroxyphenoxy)-ethylamino]-3-[4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]-phenoxy]-2-propanol (81015-93-2) → 1-[2-((3-carbamoyl-4-hydroxy)phenoxy)ethylamino]-3-[4-(1-methyl-4-trifluoromethyl-2-imidazolyl)phenoxy]propan-2-ol (137888-49-4,81015-67-0)

Guidance literature:

With ammonia; In 1,4-dioxane; methanol; methanolic hydrochloric acid; water;

Reference yield:

1-[N-benzyl-2-(3-carbamoyl-4-hydroxyphenoxy)-ethylamino]-3-[4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]-phenoxy]-2-propanol → monomethanesulphonate + 1-[2-((3-carbamoyl-4-hydroxy)phenoxy)ethylamino]-3-[4-(1-methyl-4-trifluoromethyl-2-imidazolyl)phenoxy]propan-2-ol (137888-49-4,81015-67-0)

Guidance literature:

palladium; In 1,4-dioxane; methanol;

upstream raw materials:

1,4-dioxane

1-amino-3-[4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)-phenoxy]-2-propanol

sodium salt of 1-[2-(3-carboxy-4-hydroxyphenoxy)-ethylamino]-3-[4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]-phenoxy]-2-propanol

2-[4-(2,3-epoxypropoxy)-phenyl]-1-methyl-4-(trifluoromethyl)-imidazole

Downstream raw materials:

sodium salt of 1-[2-(3-carboxy-4-hydroxyphenoxy)-ethylamino]-3-[4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]-phenoxy]-2-propanol

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