2-Amino-4'-fluorobenzophenone

Base Information

• Chemical Name: 2-Amino-4'-fluorobenzophenone
• CAS No.: 3800-06-4
• Molecular Formula: C13H10NOF
• Molecular Weight: 215.227
• Hs Code.: 29223990
• DSSTox Substance ID: DTXSID20431574
• Nikkaji Number: J1.054.501C
• Wikidata: Q72437166
• Mol file: 3800-06-4.mol

Synonyms:2-amino-4'-fluorobenzophenone;3800-06-4;(2-Aminophenyl)(4-fluorophenyl)methanone;(2-aminophenyl)-(4-fluorophenyl)methanone;Methanone, (2-aminophenyl)(4-fluorophenyl)-;MFCD06658166;2-(4-fluorobenzoyl)aniline;SCHEMBL333734;4'-fluoro-2-aminobenzophenone;2-Amino-4`-fluorobenzophenone;2-Amino-4/'-fluorobenzophenone;2-amino- 4'-fluoro-benzophenone;DTXSID20431574;FFFXIQFESQNINT-UHFFFAOYSA-N;AMY40349;AC-970;2-aminophenyl 4-fluorophenyl methanone;AKOS013746813;AS-12704;SY013777;(2-aminophenyl)(4-fluorophenyl) methanone;CS-0031398;FT-0635023;A20914;EN300-6479199;2-Amino-4 inverted exclamation mark -fluorobenzophenone;Z1227746516;(2-Amino-4'-fluoro-phenyl)-phenyl-methanone;(2-Amino-phenyl)-(4-fluoro-phenyl)-methanone

Chemical Property of 2-Amino-4'-fluorobenzophenone

Chemical Property:

• Melting Point: 122-128°C
• Boiling Point: 390.559 °C at 760 mmHg
• PKA: -0.19±0.10(Predicted)
• Flash Point: 190.004 °C
• PSA: 43.09000
• Density: 1.237 g/cm³
• LogP: 3.22010
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 215.074642105
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-4''-fluorobenzophenone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)F)N
• Uses: An intermediate in the preparation of the anticholesteremic Pitavastatin.

Technology Process of 2-Amino-4'-fluorobenzophenone

There total 29 articles about 2-Amino-4'-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: 96.0%

(4-fluorophenyl)(2-nitrophenyl)methanone (120303-62-0) → 2-amino-4'-fluorobenzophenone (3800-06-4)

Guidance literature:

With hydrogenchloride; iron; In ethanol; water; for 1h; Reflux;

DOI:10.1021/jacs.5b09342

Reference yield: 95.0%

(4-fluorophenyl)lithium (1493-23-8) + 2-carbomethoxyaniline (134-20-3) → 2-amino-4'-fluorobenzophenone (3800-06-4)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; at -20 - 20 ℃; Temperature; Reagent/catalyst; Concentration;

Reference yield: 92.0%

2-carbomethoxyaniline (134-20-3) + 4-flourophenylmagnesium bromide (352-13-6) → 2-amino-4'-fluorobenzophenone (3800-06-4)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; at 10 - 45 ℃; for 10h; Temperature; Concentration; Reagent/catalyst;

upstream raw materials:

(4-fluorophenyl)(2-nitrophenyl)methanone

N-[2-(4-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide

2-<4-Fluor-benzoyl>-benzamid

4-fluorobenzonitrile

Downstream raw materials:

N-(2-(4-fluorobenzoyl)phenyl)acetamide

4-(4-Fluoro-phenyl)-3-methyl-3,4-dihydro-benzo[d][1,2,3]triazin-4-ol

2-cyclopropyl-4-(4-fluoro-phenyl)-3-quinoline carboxylic acid ethyl ester

N-[2-(4-fluorobenzoyl)phenyl]-4-(methylsulfonyl)benzamide

Refernces

• 1、 -. "Synthetic method for 2-amino-4'-fluoro-benzophenone". Paragraph 0049; 0054; 0059; 0064; 0069; 0071. . Retrieved 2019/04/17.
• 2、 -. "Method for synthesizing ortho-amino aromatic ketone from aromatic carboxylic acid". Paragraph 0029; 0030. . Retrieved 2019/07/04.