(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4'-fluoro-4,5'-diisopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one

Base Information

Chemical Name:(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4'-fluoro-4,5'-diisopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one
CAS No.:875550-90-6
Molecular Formula:C₃₂H₃₂F₇NO₃
Molecular Weight:611.6
Hs Code.:
ChEMBL ID:CHEMBL1935004
DSSTox Substance ID:DTXSID101100723

Synonyms:CHEMBL1935004;(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4'-fluoro-4,5'-diisopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one;SCHEMBL532761;DTXSID101100723;BDBM50360874;875550-90-6;(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-3-[[4'-fluoro-2'-methoxy-4,5'-bis(1-methylethyl)[1,1'-biphenyl]-2-yl]methyl]-4-methyl-2-oxazolidinone

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Chemical Property of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4'-fluoro-4,5'-diisopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one

Chemical Property:

XLogP3:9.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:611.22704102
Heavy Atom Count:43
Complexity:919

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1C(OC(=O)N1CC2=C(C=CC(=C2)C(C)C)C3=CC(=C(C=C3OC)F)C(C)C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
Isomeric SMILES:C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=C2)C(C)C)C3=CC(=C(C=C3OC)F)C(C)C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Technology Process of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4'-fluoro-4,5'-diisopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one

There total 6 articles about (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4'-fluoro-4,5'-diisopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one 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:

: 875444-08-9
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

: 875550-90-6
C₃₂H₃₂F₇NO₃

Guidance literature:: Multi-step reaction with 5 steps

1.1: sodium hydride / tetrahydrofuran / 0 °C

1.2: 0 - 20 °C

2.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / ethanol; water; toluene / Reflux

3.1: palladium on activated charcoal; hydrogen / methanol / 2068.65 Torr

4.1: n-Amyl nitrite; iodine / chloroform / Reflux

5.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / ethanol; water; toluene / Reflux

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; n-Amyl nitrite; palladium on activated charcoal; hydrogen; iodine; sodium hydride; potassium carbonate; In tetrahydrofuran; methanol; ethanol; chloroform; water; toluene; 2.1: Suzuki coupling / 5.1: Suzuki coupling;
DOI:10.1016/j.bmcl.2011.11.039

Reference yield:

: 875550-79-1
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-bromo-5-nitrobenzyl)-4-methyl-1,3-oxazolidin-2-one

: 875550-90-6
C₃₂H₃₂F₇NO₃

Guidance literature:: Multi-step reaction with 4 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / ethanol; water; toluene / Reflux

2: palladium on activated charcoal; hydrogen / methanol / 2068.65 Torr

3: n-Amyl nitrite; iodine / chloroform / Reflux

4: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / ethanol; water; toluene / Reflux

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; n-Amyl nitrite; palladium on activated charcoal; hydrogen; iodine; potassium carbonate; In methanol; ethanol; chloroform; water; toluene; 1: Suzuki coupling / 4: Suzuki coupling;
DOI:10.1016/j.bmcl.2011.11.039

Reference yield:

: 875550-80-4
C₂₉H₂₅F₇N₂O₅

: 875550-90-6
C₃₂H₃₂F₇NO₃

Guidance literature:: Multi-step reaction with 3 steps

1: palladium on activated charcoal; hydrogen / methanol / 2068.65 Torr

2: n-Amyl nitrite; iodine / chloroform / Reflux

3: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / ethanol; water; toluene / Reflux

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; n-Amyl nitrite; palladium on activated charcoal; hydrogen; iodine; potassium carbonate; In methanol; ethanol; chloroform; water; toluene; 3: Suzuki coupling;
DOI:10.1016/j.bmcl.2011.11.039