77GX6MU9ZL

Base Information

Chemical Name:77GX6MU9ZL
CAS No.:1207745-58-1
Molecular Formula:C₂₂H₁₇ClFN₃O₂S
Molecular Weight:441.913
Hs Code.:
UNII:77GX6MU9ZL
DSSTox Substance ID:DTXSID101045923
Wikipedia:MK-4409
Wikidata:Q22101775
Pharos Ligand ID:RPFDJBCD3ZA2
ChEMBL ID:CHEMBL1812717

Synonyms:MK-4409;1207745-58-1;77GX6MU9ZL;CHEMBL1812717;2-Pyridinemethanol, 5-(5-((5-chloro-2-pyridinyl)thio)-2-(4-fluorophenyl)-4-oxazolyl)-alpha,alpha-dimethyl-;2-Pyridinemethanol, 5-[5-[(5-chloro-2-pyridinyl)thio]-2-(4-fluorophenyl)-4-oxazolyl]-alpha,alpha-dimethyl-;UNII-77GX6MU9ZL;SCHEMBL1001251;DTXSID101045923;BDBM50350538;AKOS040748935;HY-12909;PD160672;CS-0012772;2-PYRIDINEMETHANOL, 5-(5-((5-CHLORO-2-PYRIDINYL)THIO)-2-(4-FLUOROPHENYL)-4-OXAZOLYL)-.ALPHA.,.ALPHA.-DIMETHYL-;5-(5-((5-CHLORO-2-PYRIDINYL)THIO)-2-(4-FLUOROPHENYL)-4-OXAZOLYL)-.ALPHA.,.ALPHA.-DIMETHYL-2-PYRIDINEMETHANOL;5-(5-((5-Chloro-2-pyridinyl)thio)-2-(4-fluorophenyl)-4-oxazolyl)-alpha,alpha-dimethyl-2-pyridinemethanol

Suppliers and Price of 77GX6MU9ZL

Supply Marketing:

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

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Chemical Property of 77GX6MU9ZL

Chemical Property:

XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:441.0714038
Heavy Atom Count:30
Complexity:567

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C1=NC=C(C=C1)C2=C(OC(=N2)C3=CC=C(C=C3)F)SC4=NC=C(C=C4)Cl)O

Technology Process of 77GX6MU9ZL

There total 2 articles about 77GX6MU9ZL 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: 85.0%

: 1207747-00-9
2-{5-[5-bromo-2-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridin-2-yl}propan-2-ol

: 40771-41-3
2-mercapto-5-chloro-pyridine

: 1207745-58-1
2-(5-(5-((5-chloropyridin-2-yl)thio)-2-(4-fluorophenyl)oxazol-4-yl)pyridin-2-yl)propan-2-ol

Guidance literature:: 2-mercapto-5-chloro-pyridine; With sodium hydride; In 1-methyl-pyrrolidin-2-one; at 20 ℃; for 0.5h;

2-{5-[5-bromo-2-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridin-2-yl}propan-2-ol; With copper(l) iodide; In 1-methyl-pyrrolidin-2-one; at 120 ℃; for 2h; Reagent/catalyst;
DOI:10.1021/ml5001239

Reference yield:

: 290307-40-3
2-(5-bromopyridin-2-yl)propan-2-ol

: 1207745-58-1
2-(5-(5-((5-chloropyridin-2-yl)thio)-2-(4-fluorophenyl)oxazol-4-yl)pyridin-2-yl)propan-2-ol

Guidance literature:: Multi-step reaction with 3 steps

1.1: bis(pinacol)diborane; potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; 1,1'-bis-(diphenylphosphino)ferrocene / 1,4-dioxane / 3 h / 101 °C

1.2: 12 h / 65 - 91 °C

2.1: N-Bromosuccinimide / dichloromethane / 12 h / 20 °C

3.1: sodium hydride / 1-methyl-pyrrolidin-2-one / 0.5 h / 20 °C

3.2: 2 h / 120 °C

With 1,1'-bis-(diphenylphosphino)ferrocene; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; N-Bromosuccinimide; potassium acetate; sodium hydride; bis(pinacol)diborane; In 1,4-dioxane; 1-methyl-pyrrolidin-2-one; dichloromethane; 1.2: |Suzuki Coupling;
DOI:10.1021/ml5001239