Almoxatone

Base Information

• Chemical Name: Almoxatone
• CAS No.: 84145-89-1
• Molecular Formula: C18H19 Cl N2 O3
• Molecular Weight: 346.81
• Hs Code.: 2934999090
• UNII: 85V47MCE4Z
• DSSTox Substance ID: DTXSID00233078
• Nikkaji Number: J22.999G
• Wikipedia: Almoxatone
• Wikidata: Q4734011
• NCI Thesaurus Code: C72688
• Metabolomics Workbench ID: 155700
• ChEMBL ID: CHEMBL2104006
• Mol file: 84145-89-1.mol

Synonyms:3-(4-((3-chlorophenyl)methoxy)phenyl)-5-((methylamino)methyl)-2-oxazolidinone;MD 240928;MD 240931;MD 780236;MD 780236, (R)-isomer;MD 780236, (S)-isomer;MD 780236, monomesylate;MD-240928;MD-240931;MD-780236

Chemical Property of Almoxatone

Chemical Property:

• Vapor Pressure: 9.07E-10mmHg at 25°C
• Boiling Point: 490.5°C at 760 mmHg
• Flash Point: 250.5°C
• PSA: 50.80000
• Density: 1.263g/cm³
• LogP: 3.91950
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 346.1084202
• Heavy Atom Count: 24
• Complexity: 415

Purity/Quality:

ALMOXATONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC1CN(C(=O)O1)C2=CC=C(C=C2)OCC3=CC(=CC=C3)Cl
• Isomeric SMILES: CNC[C@@H]1CN(C(=O)O1)C2=CC=C(C=C2)OCC3=CC(=CC=C3)Cl

Technology Process of Almoxatone

There total 7 articles about Almoxatone 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:

4-<(3-chlorophenyl)methoxy>nitrobenzene (130641-75-7) → almoxatone (84145-89-1)

Guidance literature:

Multi-step reaction with 5 steps

1: FeCl₃*6H₂O, activated carbon, hydrazine hydrate / CH₂Cl₂ / 30 h

2: 68 percent / ethanol / 1.) 50 deg C, 12 h, 2.) reflux, 12 h

3: 85 percent / sodium methoxide / methanol / 12 h / 105 °C

4: 91 percent / triethylamine / CH₂Cl₂ / 0.5 h / 0 - 5 °C

5: methanol / 4 h / 105 °C

With sodium methylate; iron(III) chloride; pyrographite; hydrazine hydrate; triethylamine; In methanol; ethanol; dichloromethane;

Reference yield:

4-<(3-chlorophenyl)methoxy>aniline (57181-88-1) → almoxatone (84145-89-1)

Guidance literature:

Multi-step reaction with 4 steps

1: 68 percent / ethanol / 1.) 50 deg C, 12 h, 2.) reflux, 12 h

2: 85 percent / sodium methoxide / methanol / 12 h / 105 °C

3: 91 percent / triethylamine / CH₂Cl₂ / 0.5 h / 0 - 5 °C

4: methanol / 4 h / 105 °C

With sodium methylate; triethylamine; In methanol; ethanol; dichloromethane;

Reference yield:

(R)-3-<<4-<(3-chlorophenyl)methoxy>phenyl>amino>-1,2-propanediol (130641-78-0) → almoxatone (84145-89-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 85 percent / sodium methoxide / methanol / 12 h / 105 °C

2: 91 percent / triethylamine / CH₂Cl₂ / 0.5 h / 0 - 5 °C

3: methanol / 4 h / 105 °C

With sodium methylate; triethylamine; In methanol; dichloromethane;

upstream raw materials:

Methanesulfonic acid (R)-3-[4-(3-chloro-benzyloxy)-phenyl]-2-oxo-oxazolidin-5-ylmethyl ester

methylamine

4-<(3-chlorophenyl)methoxy>nitrobenzene

4-<(3-chlorophenyl)methoxy>aniline