[R-(R*,S*)]-3-[3-[3-[Bis(phenylmethyl)amino]phenyl]-1-oxopentyl]-4-phenyl-2-oxazolidinone

Base Information

• Chemical Name: [R-(R*,S*)]-3-[3-[3-[Bis(phenylmethyl)amino]phenyl]-1-oxopentyl]-4-phenyl-2-oxazolidinone
• CAS No.: 174590-40-0
• Molecular Formula: C34H34N2O3
• Molecular Weight: 518.656
• DSSTox Substance ID: DTXSID00446661
• Wikidata: Q82265376
• Mol file: 174590-40-0.mol

Synonyms:174590-40-0;[R-(R*,S*)]-3-[3-[3-[Bis(phenylmethyl)amino]phenyl]-1-oxopentyl]-4-phenyl-2-oxazolidinone;(4R)-3-[(3S)-3-[3-(DIBENZYLAMINO)PHENYL]PENTANOYL]-4-PHENYL-1,3-OXAZOLIDIN-2-ONE;(R)-3-((S)-3-(3-(Dibenzylamino)phenyl)pentanoyl)-4-phenyloxazolidin-2-one;(4R)-3-{(3S)-3-[3-(Dibenzylamino)phenyl]pentanoyl}-4-phenyl-1,3-oxazolidin-2-one;SCHEMBL7950843;DTXSID00446661;LXPOWZXZJLUZBJ-IUDBTDONSA-N;AKOS025294728;J-011015

Chemical Property of [R-(R*,S*)]-3-[3-[3-[Bis(phenylmethyl)amino]phenyl]-1-oxopentyl]-4-phenyl-2-oxazolidinone

Chemical Property:

• Vapor Pressure: 3.65E-20mmHg at 25°C
• Boiling Point: 712.8°C at 760 mmHg
• Flash Point: 384.9°C
• PSA: 49.85000
• Density: 1.197g/cm³
• LogP: 7.43510
• Solubility.: Chloroform, Dichloromethane, Diethyl Ether, Ethyl Acetate
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 518.25694295
• Heavy Atom Count: 39
• Complexity: 748

Purity/Quality:

98%Min ^*data from raw suppliers

[R-(R*,S*)]-3-[3-[3-[Bis(phenylmethyl)amino]phenyl]-1-oxopentyl]-4-phenyl-2-oxazolidinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC(=O)N1C(COC1=O)C2=CC=CC=C2)C3=CC(=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5
• Isomeric SMILES: CC[C@@H](CC(=O)N1[C@@H](COC1=O)C2=CC=CC=C2)C3=CC(=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Technology Process of [R-(R*,S*)]-3-[3-[3-[Bis(phenylmethyl)amino]phenyl]-1-oxopentyl]-4-phenyl-2-oxazolidinone

There total 4 articles about [R-(R*,S*)]-3-[3-[3-[Bis(phenylmethyl)amino]phenyl]-1-oxopentyl]-4-phenyl-2-oxazolidinone 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:

(E)-pent-2-enoyl chloride (33698-85-0) → (R)-3-[(S)-3-(3-Dibenzylamino-phenyl)-pentanoyl]-4-phenyl-oxazolidin-2-one (174590-40-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 95 percent / n-BuLi / tetrahydrofuran / -78 °C

2: CuBr, DMS / tetrahydrofuran / 1 h / 0 °C

3: 1.) H₃O⁺, 2.) Na₂CO₃ / 2.) H₂O, CH₂Cl₂

With n-butyllithium; 2,3-dimercapto-succinic acid; oxonium; sodium carbonate; copper(I) bromide; In tetrahydrofuran;

DOI:10.1021/ja963434w

Reference yield:

(4R)-phenyl-2-oxazolidinone (90319-52-1,7480-32-2) → (R)-3-[(S)-3-(3-Dibenzylamino-phenyl)-pentanoyl]-4-phenyl-oxazolidin-2-one (174590-40-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 95 percent / n-BuLi / tetrahydrofuran / -78 °C

2: CuBr, DMS / tetrahydrofuran / 1 h / 0 °C

3: 1.) H₃O⁺, 2.) Na₂CO₃ / 2.) H₂O, CH₂Cl₂

With n-butyllithium; 2,3-dimercapto-succinic acid; oxonium; sodium carbonate; copper(I) bromide; In tetrahydrofuran;

DOI:10.1021/ja963434w

Reference yield:

(R)-N-[(E)-EtCHCHC(O)]-4-phenyl-1,3-oxazolidin-2-one (188559-05-9) → (R)-3-[(S)-3-(3-Dibenzylamino-phenyl)-pentanoyl]-4-phenyl-oxazolidin-2-one (174590-40-0)

Guidance literature:

Multi-step reaction with 2 steps

1: CuBr, DMS / tetrahydrofuran / 1 h / 0 °C

2: 1.) H₃O⁺, 2.) Na₂CO₃ / 2.) H₂O, CH₂Cl₂

With 2,3-dimercapto-succinic acid; oxonium; sodium carbonate; copper(I) bromide; In tetrahydrofuran;

DOI:10.1021/ja963434w

upstream raw materials:

benzyl bromide

(E)-pent-2-enoyl chloride

(4R)-phenyl-2-oxazolidinone

(R)-N-[(E)-EtCHCHC(O)]-4-phenyl-1,3-oxazolidin-2-one

Downstream raw materials:

(S)-2-[(S)-1-(3-Dibenzylamino-phenyl)-propyl]-1-((R)-2-oxo-4-phenyl-oxazolidin-3-yl)-butane-1,3-dione

(S)-3--β-ethylbenzenpropanoic acid methyl ester

(2S,5R)-2-[(S)-1-(3-Dibenzylamino-phenyl)-propyl]-5-hydroxy-1-((R)-2-oxo-4-phenyl-oxazolidin-3-yl)-5-phenethyl-oct-6-yne-1,3-dione

(2S,5R)-2-[(S)-1-(3-Dibenzylamino-phenyl)-propyl]-5-hydroxy-1-((R)-2-oxo-4-phenyl-oxazolidin-3-yl)-5-phenethyl-octane-1,3-dione

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