(2-Amino-5-chlorophenyl)(2,6-difluorophenyl)methanone

Base Information

• Chemical Name: (2-Amino-5-chlorophenyl)(2,6-difluorophenyl)methanone
• CAS No.: 28910-83-0
• Molecular Formula: C13H8ClF2NO
• Molecular Weight: 267.662
• Hs Code.: 2922399090
• European Community (EC) Number: 687-018-8
• DSSTox Substance ID: DTXSID10574303
• Wikidata: Q72434364
• Mol file: 28910-83-0.mol

Synonyms:28910-83-0;(2-Amino-5-chlorophenyl)(2,6-difluorophenyl)methanone;2-AMINO-5-CHLORO-2',6'-DIFLUOROBENZOPHENONE;(2-amino-5-chlorophenyl)-(2,6-difluorophenyl)methanone;2-Amino-5-chloro-2',6'-difluoro-benzophenone;Methanone, (2-amino-5-chlorophenyl)(2,6-difluorophenyl)-;MFCD06659048;(2-Amino-5-chloro-phenyl)-(2,6-difluorophenyl)methanone;4-chloro-2-(2,6-difluorobenzoyl)aniline;SCHEMBL2354194;DTXSID10574303;DUMGVPIXKALANS-UHFFFAOYSA-N;CS-M0273;AKOS015901848;AC-24175;BP-30017;DS-14560;SY009671;AM20120607;2-amino-5-chloro-2`,6`-difluorobenzophenone;EN300-7360760;A854842;J-507923;2-AMINO-5-CHLORO-2' pound not6'-DIFLUOROBENZOPHENONE;(2-Amino-5-chlorophenyl)(2 pound not6-difluorophenyl)methanone;2-Amino-5-chloro-2 inverted exclamation mark ,6 inverted exclamation mark -difluorobenzophenone

Chemical Property of (2-Amino-5-chlorophenyl)(2,6-difluorophenyl)methanone

Chemical Property:

• Appearance/Colour: Yellow solid
• Melting Point: 151-153°C
• Boiling Point: 435.168 °C at 760 mmHg
• PKA: -1.71±0.10(Predicted)
• Flash Point: 216.982 °C
• PSA: 43.09000
• Density: 1.407 g/cm³
• LogP: 4.01260
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 267.0262479
• Heavy Atom Count: 18
• Complexity: 305

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-5-chloro-2'',6''-difluoro-benzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)C(=O)C2=C(C=CC(=C2)Cl)N)F
• Uses: 2-Aminobenzophenone derivative.

Technology Process of (2-Amino-5-chlorophenyl)(2,6-difluorophenyl)methanone

There total 4 articles about (2-Amino-5-chlorophenyl)(2,6-difluorophenyl)methanone 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: 100.0%

tert-butyl (4-chloro-2-(2,6-difluorobenzoyl)phenyl)carbamate (869365-92-4) → (2-amino-5-chlorophenyl)-(2,6-difluorophenyl)methanone (28910-83-0)

Guidance literature:

tert-butyl (4-chloro-2-(2,6-difluorobenzoyl)phenyl)carbamate; With trifluoroacetic acid; In dichloromethane; for 1h;

With sodium hydrogencarbonate; In water; ethyl acetate;

Reference yield:

2-acetamido-5-chloro-2',6'-difluorobenzophenone (28910-82-9) → (2-amino-5-chlorophenyl)-(2,6-difluorophenyl)methanone (28910-83-0)

Guidance literature:

With sodium hydroxide; In hydrogenchloride; water;

Reference yield:

1,3-Difluorobenzene (372-18-9) → (2-amino-5-chlorophenyl)-(2,6-difluorophenyl)methanone (28910-83-0)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride; n-butyllithium / tetrahydrofuran; n-heptane; benzene

2: sodium hydroxide / hydrogenchloride; water

With hydrogenchloride; sodium hydroxide; n-butyllithium; In tetrahydrofuran; hydrogenchloride; n-heptane; water; benzene;

upstream raw materials:

tert-butyl (4-chloro-2-(2,6-difluorobenzoyl)phenyl)carbamate

2-acetamido-5-chloro-2',6'-difluorobenzophenone

1,3-Difluorobenzene

Downstream raw materials:

2-(2-aminoacetamido)-5-chloro-2',6'-difluorobenzophenone

1,3-dihydro-7-chloro-5-(2,6-difluorophenyl)-2H-1,4-benzodiazepin-2-one

7-chloro-5-(2,6-difluoro-phenyl)-1,3-dihydro-benzo[e][1,4]diazepine-2-thione

(2-amino-5-chlorophenyl)(2-fluoro-6-methoxyphenyl)methanone

Refernces

• 1、 -. "Compounds and methods for inhibiting mitotic progression". Page/Page column 140. . Retrieved 2008/06/13.
• 2、 Lemke,Hester,Rudzik. "A new 2,6-difluorobenzodiazepinone.". . p. 275 - 277. Retrieved 2007/10/05.