2-Amino-2'-fluorobenzophenone

Base Information

• Chemical Name: 2-Amino-2'-fluorobenzophenone
• CAS No.: 1581-13-1
• Molecular Formula: C13H10FNO
• Molecular Weight: 215.227
• Hs Code.: 2922399090
• European Community (EC) Number: 216-427-2
• DSSTox Substance ID: DTXSID40166376
• Nikkaji Number: J206.820F
• Wikidata: Q83035566
• Mol file: 1581-13-1.mol

Synonyms:1581-13-1;(2-Aminophenyl)(2-fluorophenyl)methanone;2-Amino-2'-fluorobenzophenone;(2-aminophenyl)-(2-fluorophenyl)methanone;Methanone, (2-aminophenyl)(2-fluorophenyl)-;EINECS 216-427-2;2-(2-fluorobenzoyl)aniline;2-Amino-2 inverted exclamation mark -fluoro-benzophenone;Methanone,(2-aminophenyl)(2-fluorophenyl)-;SCHEMBL5282720;2-Amino-2/'-fluorobenzophenone;NRAJMXHXQHCBHO-UHFFFAOYSA-;DTXSID40166376;Benzophenone, 2-amino-2'-fluoro-;BCP10585;AKOS005259586;SB79465;(2-Aminophenyl)(2-fluorophenyl)methanone #;A3482;BB 0260882;FT-0646932;Y13600;J-507756

Chemical Property of 2-Amino-2'-fluorobenzophenone

Chemical Property:

• Melting Point: 126-128℃
• Boiling Point: 401.9 °C at 760 mmHg
• PKA: -0.78±0.10(Predicted)
• Flash Point: 196.8 °C
• PSA: 43.09000
• Density: 1.236 g/cm³
• LogP: 3.22010
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly, Heated)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 215.074642105
• Heavy Atom Count: 16
• Complexity: 256

Purity/Quality:

99%, ^*data from raw suppliers

2-Amino-2''-fluorobenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=CC=C2F)N
• Uses: 2-Amino-2''-fluorobenzophenone is an intermediate in the preparation of the anticholesteremic Pitavastatin.

Technology Process of 2-Amino-2'-fluorobenzophenone

There total 12 articles about 2-Amino-2'-fluorobenzophenone 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: 92.0%

C13H8FNO → 2-amino-2'-fluorobenzophenone (1581-13-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; triethylamine; In tetrahydrofuran; at 25 ℃; for 12h; under 7500.75 Torr; Autoclave;

DOI:10.1002/cctc.201600047

Reference yield: 81.0%

C13H10FNO4S → 2-amino-2'-fluorobenzophenone (1581-13-1)

Guidance literature:

With dipotassium hydrogenphosphate; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; triphenylphosphine; In 1,4-dioxane; at 25 ℃; for 8h; Schlenk technique; Inert atmosphere; Sealed tube; Irradiation;

DOI:10.1002/chem.201903816

Reference yield: 57.0%

2-fluorophenyl lithium (348-53-8) + anthranilic acid N-methoxy-N-methylamide (133776-41-7) → 2-amino-2'-fluorobenzophenone (1581-13-1)

Guidance literature:

anthranilic acid N-methoxy-N-methylamide; With n-butyllithium; In tetrahydrofuran; hexane; at -100 ℃; Inert atmosphere;

2-fluorophenyl lithium; In tetrahydrofuran; hexane; at -100 ℃; Inert atmosphere;

DOI:10.1021/jm800506v

upstream raw materials:

o-fluorobromobenzene

anthranilic acid N-methoxy-N-methylamide

isatoic anhydride

2-fluorophenyl lithium

Downstream raw materials:

9-(2-Fluorophenyl)furo<3,4-b>quinolin-1(3H)-one

N-(2'-Fluorobenzoylphenyl)-2,3-diphthalylaminopropionylamide

{[2-(2-Fluoro-benzoyl)-phenylcarbamoyl]-thiophen-3-yl-methyl}-carbamic acid tert-butyl ester

(2-amino-5-iodophenyl)(2-fluorophenyl)methanone

Refernces

• 1、 -. "COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS". . . Retrieved 2019/04/26.
• 2、 -. "BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS". . . Retrieved 2017/02/09.