2-Fluoro-N-[2-hydroxy-3-(methylphenylamino)propyl]benzamide

Base Information

• Chemical Name: 2-Fluoro-N-[2-hydroxy-3-(methylphenylamino)propyl]benzamide
• CAS No.: 59772-70-2
• Molecular Formula: C17H19 F N2 O2
• Molecular Weight: 302.348
• European Community (EC) Number: 261-923-4
• DSSTox Substance ID: DTXSID00975183
• Nikkaji Number: J298.234J
• Mol file: 59772-70-2.mol

Synonyms:59772-70-2;EINECS 261-923-4;2-FLUORO-N-[2-HYDROXY-3-(METHYLPHENYLAMINO)PROPYL]BENZAMIDE;C17H19FN2O2;2-Fluoro-N-(2-hydroxy-3-(methylphenylamino)propyl)benzamide;DTXSID00975183;2-Fluoro-N-{2-hydroxy-3-[methyl(phenyl)amino]propyl}benzene-1-carboximidic acid

Chemical Property of 2-Fluoro-N-[2-hydroxy-3-(methylphenylamino)propyl]benzamide

Chemical Property:

• Vapor Pressure: 4.85E-11mmHg at 25°C
• Boiling Point: 505.5°C at 760 mmHg
• Flash Point: 259.5°C
• PSA: 56.06000
• Density: 1.222g/cm³
• LogP: 2.62760
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 302.14305602
• Heavy Atom Count: 22
• Complexity: 348

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CC(CNC(=O)C1=CC=CC=C1F)O)C2=CC=CC=C2

Technology Process of 2-Fluoro-N-[2-hydroxy-3-(methylphenylamino)propyl]benzamide

There total 1 articles about 2-Fluoro-N-[2-hydroxy-3-(methylphenylamino)propyl]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-fluoro-N-[2-hydroxy-3-(methylphenylamino)propyl]benzamide (59772-70-2)

Guidance literature:

entspr. Aryldiaminopropan, entspr. Saeurechlorid;

Reference yield:

2-fluoro-N-[2-hydroxy-3-(methylphenylamino)propyl]benzamide (59772-70-2) + sodium acetate (127-09-3) → Acetic acid 5-(2-fluoro-phenyl)-1-methyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-ylmethyl ester (103379-87-9)

Guidance literature:

With trichlorophosphate; Yield given. Multistep reaction; 1.) reflux, 2.5 h; 2.) DMF, 3 h, 130 deg C;

Reference yield:

2-fluoro-N-[2-hydroxy-3-(methylphenylamino)propyl]benzamide (59772-70-2) → 1-methyl-2-chloromethyl-5-(2'-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine (59772-71-3) + 3-chloro-1-methyl-6-(2'-fluorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine (61709-46-4)

Guidance literature:

With trichlorophosphate; for 2.5h; Yield given. Yields of byproduct given; Heating;

Downstream raw materials:

Acetic acid 5-(2-fluoro-phenyl)-1-methyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-ylmethyl ester

1-methyl-2-chloromethyl-5-(2'-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine

3-chloro-1-methyl-6-(2'-fluorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine

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