4-Amino-4'-fluoro-3-nitrobenzophenone

Base Information

• Chemical Name: 4-Amino-4'-fluoro-3-nitrobenzophenone
• CAS No.: 31431-26-2
• Molecular Formula: C13H9 F N2 O3
• Molecular Weight: 260.224
• Hs Code.: 2922399090
• European Community (EC) Number: 250-633-3
• UNII: FF9Q6A8SHQ
• DSSTox Substance ID: DTXSID40185360
• Wikidata: Q83056380
• Mol file: 31431-26-2.mol

Synonyms:31431-26-2;(4-amino-3-nitrophenyl)(4-fluorophenyl)methanone;4-Amino-4'-fluoro-3-nitrobenzophenone;(4-amino-3-nitrophenyl)-(4-fluorophenyl)methanone;4-Amino-3-nitro-4'-fluorobenzophenone;EINECS 250-633-3;FF9Q6A8SHQ;4-(4-FLUOROBENZOYL)-2-NITROANILINE;UNII-FF9Q6A8SHQ;SCHEMBL10477444;DTXSID40185360;WGHPYSRSLNIWOT-UHFFFAOYSA-N;AKOS015967151;A820851;Methanone, (4-amino-3-nitrophenyl)(4-fluorophenyl)-

Chemical Property of 4-Amino-4'-fluoro-3-nitrobenzophenone

Chemical Property:

• Boiling Point: 456.2°Cat760mmHg
• Flash Point: 229.7°C
• PSA: 88.91000
• Density: 1.399g/cm³
• LogP: 3.65150
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 260.05972032
• Heavy Atom Count: 19
• Complexity: 350

Purity/Quality:

99%, ^*data from raw suppliers

(4-AMINO-3-NITROPHENYL)(4-FLUORO PHENYL) METHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])F

Technology Process of 4-Amino-4'-fluoro-3-nitrobenzophenone

There total 5 articles about 4-Amino-4'-fluoro-3-nitrobenzophenone 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: 96.8%

4-chloro-4'-fluoro-3-nitrobenzophenone (31431-16-0) → (4-amino-3-nitrophenyl)(4-fluorophenyl)ketone (31431-26-2)

Guidance literature:

With ammonium hydroxide; In methanol; at 65 - 70 ℃; for 4h; under 2250.23 - 3000.3 Torr; Autoclave; Large scale;

Reference yield:

4-chloro-3-nitrobenzoate (96-99-1) → (4-amino-3-nitrophenyl)(4-fluorophenyl)ketone (31431-26-2)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) SOCl₂, (ii) /BRN= 1236623/, AlCl₃

2: NH₃

With ammonia;

Reference yield:

4-chloro-3-nitro-benzoyl chloride (38818-50-7) → (4-amino-3-nitrophenyl)(4-fluorophenyl)ketone (31431-26-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: aluminum (III) chloride / N,N-dimethyl-formamide; 1,2-dichloro-benzene / 2 h / 25 - 30 °C / Large scale

1.2: 0.5 h / 65 °C / Large scale

2.1: ammonium hydroxide / methanol / 4 h / 65 - 70 °C / 2250.23 - 3000.3 Torr / Autoclave; Large scale

With aluminum (III) chloride; ammonium hydroxide; In methanol; N,N-dimethyl-formamide; 1,2-dichloro-benzene; 1.1: |Friedel-Crafts Acylation;

upstream raw materials:

4-chloro-4'-fluoro-3-nitrobenzophenone

fluorobenzene

4-chloro-3-nitrobenzoate

4-chloro-3-nitro-benzoyl chloride

Downstream raw materials:

(3,4-diaminophenyl)(4-fluorophenyl)ketone

methyl N-[6-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate

4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-nitrobenzenamine

Refernces

• 1、 Raeymackers,Van Gelder,Roevens,Janssen. "Synthesis and anthelminthic acitivity of alkyl-(5-acyl-1-benzimidazol-2-yl) carbamates". . p. 586 - 594. Retrieved 2007/10/05.