(4-Aminophenyl)(4-fluorophenyl)methanone

Base Information

• Chemical Name: (4-Aminophenyl)(4-fluorophenyl)methanone
• CAS No.: 10055-40-0
• Molecular Formula: C13H10 F N O
• Molecular Weight: 215.227
• Hs Code.: 2922399090
• DSSTox Substance ID: DTXSID10342024
• Wikidata: Q82112551
• Mol file: 10055-40-0.mol

Synonyms:(4-Aminophenyl)(4-fluorophenyl)methanone;10055-40-0;(4-aminophenyl)-(4-fluorophenyl)methanone;Benzophenone, 4-amino-4'-fluoro-;4-(4-fluorobenzoyl)aniline;4-amino-4'-fluorobenzophenone;Cambridge id 5142579;Oprea1_075160;Oprea1_243688;4'-amino-4-fluorobenzophenone;SCHEMBL1913545;DTXSID10342024;MFCD00498555;STK976512;AKOS000525652;AS-2765;SB78987;(4-Aminophenyl)(4-fluorophenyl)methanone #;Methanone, (4-aminophenyl)(4-fluorophenyl)-;F81555

Chemical Property of (4-Aminophenyl)(4-fluorophenyl)methanone

Chemical Property:

• Boiling Point: 379.6±27.0 °C(Predicted)
• PKA: 2.14±0.10(Predicted)
• PSA: 43.09000
• Density: 1.236±0.06 g/cm3(Predicted)
• LogP: 3.22010
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 215.074642105
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-[(4-Fluorophenyl)carbonyl]aniline ^*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)F)N

Technology Process of (4-Aminophenyl)(4-fluorophenyl)methanone

There total 11 articles about (4-Aminophenyl)(4-fluorophenyl)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: 92.0%

4-(4-fluorobenzoyl)-nitrobenzene (2195-47-3) → (4-aminophenyl)(4-fluorophenyl)methanone (10055-40-0)

Guidance literature:

With iron; ammonium chloride; In Isopropyl acetate; at 80 ℃; for 3h;

Reference yield: 73.0%

4-fluorobenzylic alcohol (459-56-3) + aniline (62-53-3) → (4-aminophenyl)(4-fluorophenyl)methanone (10055-40-0)

Guidance literature:

With 3C₁₈H₂₆NO₃⁽¹⁺⁾*HPMo₁₁VO₄₀^(3-); oxygen; In chloroform; dimethyl sulfoxide; at 150 ℃; for 8h; Green chemistry;

DOI:10.1039/c8cy01423j

Reference yield: 71.0%

4-aminophenylzinc iodide + 4-fluorobenzoyl chloride (403-43-0) → (4-aminophenyl)(4-fluorophenyl)methanone (10055-40-0)

Guidance literature:

With copper(l) iodide; lithium chloride; In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.tetlet.2015.01.053

upstream raw materials:

4-(4-fluorobenzoyl)-nitrobenzene

fluorobenzene

4-nitro-benzoyl chloride

4-fluorobenzoyl chloride

Downstream raw materials:

N-[4-(4-fluorobenzoyl)phenyl]-5-ethylisoxazole-4-carboxamide

4β-[4''-(4''-fluorobenzoyl)anilino]-4-desoxypodophyllotoxin

4'-O-demethyl-4β-[4''-(4''-fluorobenzoyl)anilino]-4-desoxypodophyllotoxin

C₂₆H₂₀F₂N₄

Refernces

• 1、 Xu, Qian,Yu, Gang,Liu, Min,Peng, Chang,Banks, M. Katherine,Xu, Weijian,Wu, Ruoxi,Lu, Yanbing. "Coumarin-surfactant modified polyoxometalate catalyzed cross dehydrogenative coupling of benzyl alcohol with the: Para -C-H of unprotected aniline". . p. 5133 - 5136. Retrieved 2018/10/24.
• 2、 Jung, Hye-Soo,Kim, Seung-Hoi. "Direct preparation of new organozinc reagents, aminophenylzinc iodides, and their applications". . p. 1004 - 1006. Retrieved 2015/02/19.