4-Amino-5-chloro-2-methoxy-N-((4-((pentafluorophenyl)methyl)-2-morpholinyl)methyl)benzamide

Base Information

• Chemical Name: 4-Amino-5-chloro-2-methoxy-N-((4-((pentafluorophenyl)methyl)-2-morpholinyl)methyl)benzamide
• CAS No.: 112885-12-8
• Molecular Formula: C20H19 Cl F5 N3 O3
• Molecular Weight: 479.8282
• DSSTox Substance ID: DTXSID50920926
• Nikkaji Number: J374.054D
• ChEMBL ID: CHEMBL158020
• Mol file: 112885-12-8.mol

Synonyms:BRN 4280064;4-Amino-5-chloro-2-methoxy-N-((4-((pentafluorophenyl)methyl)-2-morpholinyl)methyl)benzamide;Benzamide, 4-amino-5-chloro-2-methoxy-N-((4-((pentafluorophenyl)methyl)-2-morpholinyl)methyl)-;112885-12-8;C20H19ClF5N3O3;CHEMBL158020;DTXSID50920926;C20-H19-Cl-F5-N3-O3;LS-25445;4-Amino-5-chloro-2-methoxy-N-({4-[(pentafluorophenyl)methyl]morpholin-2-yl}methyl)benzene-1-carboximidic acid;4-Amino-5-chloro-2-methoxy-N-[[4-(2,3,4,5,6-pentafluorobenzyl)-2-morpholinyl]methyl]benzamide

Chemical Property of 4-Amino-5-chloro-2-methoxy-N-((4-((pentafluorophenyl)methyl)-2-morpholinyl)methyl)benzamide

Chemical Property:

• Vapor Pressure: 5.1E-11mmHg at 25°C
• Boiling Point: 522.6°Cat760mmHg
• Flash Point: 269.9°C
• Density: 1.445g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 479.1035100
• Heavy Atom Count: 32
• Complexity: 625

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=C(C(=C(C(=C3F)F)F)F)F)Cl)N

Technology Process of 4-Amino-5-chloro-2-methoxy-N-((4-((pentafluorophenyl)methyl)-2-morpholinyl)methyl)benzamide

There total 3 articles about 4-Amino-5-chloro-2-methoxy-N-((4-((pentafluorophenyl)methyl)-2-morpholinyl)methyl)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:

2-(N-acetylaminomethyl)-4-benzylmorpholine (112913-96-9) → 4-Amino-5-chloro-2-methoxy-N-(4-pentafluorophenylmethyl-morpholin-2-ylmethyl)-benzamide (112885-12-8)

Guidance literature:

Multi-step reaction with 4 steps

1: H₂, AcOH / 10percent Pd/C / ethanol / 60 °C

2: K₂CO₃, KI / butan-2-one / 17 h / Heating

3: 10percent HCl / 4 h / Heating

4: 1-ethyl-<3-(dimethylamino)propyl>carbodiimide hydrochloride / CH₂Cl₂ / 4 h / Ambient temperature

With hydrogenchloride; hydrogen; potassium carbonate; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; potassium iodide; palladium on activated charcoal; In ethanol; dichloromethane; butanone;

DOI:10.1021/jm00106a023

Reference yield:

N-(4-Pentafluorophenylmethyl-morpholin-2-ylmethyl)-acetamide (112913-86-7) → 4-Amino-5-chloro-2-methoxy-N-(4-pentafluorophenylmethyl-morpholin-2-ylmethyl)-benzamide (112885-12-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 10percent HCl / 4 h / Heating

2: 1-ethyl-<3-(dimethylamino)propyl>carbodiimide hydrochloride / CH₂Cl₂ / 4 h / Ambient temperature

With hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane;

DOI:10.1021/jm00106a023

Reference yield:

4-amino-5-chloro-2-methoxybenzoic acid (7206-70-4) + C-(4-Pentafluorophenylmethyl-morpholin-2-yl)-methylamine → 4-Amino-5-chloro-2-methoxy-N-(4-pentafluorophenylmethyl-morpholin-2-ylmethyl)-benzamide (112885-12-8)

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; for 4h; Yield given; Ambient temperature;

DOI:10.1021/jm00106a023

upstream raw materials:

4-amino-5-chloro-2-methoxybenzoic acid

2-(N-acetylaminomethyl)-4-benzylmorpholine

N-(4-Pentafluorophenylmethyl-morpholin-2-ylmethyl)-acetamide