(4-Chlorophenyl)(4-(trifluoromethoxy)phenyl)methanone

Base Information

• Chemical Name: (4-Chlorophenyl)(4-(trifluoromethoxy)phenyl)methanone
• CAS No.: 87996-55-2
• Molecular Formula: C14H8ClF3O2
• Molecular Weight: 300.665
• Hs Code.: 2914700090
• European Community (EC) Number: 289-367-8
• DSSTox Substance ID: DTXSID40236740
• Nikkaji Number: J334.031G
• Wikidata: Q83118771
• Mol file: 87996-55-2.mol

Synonyms:87996-55-2;(4-chlorophenyl)(4-(trifluoromethoxy)phenyl)methanone;4-Chloro-4'-trifluoromethoxybenzophenone;(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone;EINECS 289-367-8;4'-Chloro-4-trifluoromethoxybenzophenone;4-(TRIFLUOROMETHOXY)-4'-CHLOROBENZOPHENONE;(4-CHLORO-PHENYL)-(4-TRIFLUOROMETHOXY-PHENYL)-METHANONE;(4-Chlorophenyl)(4-(trifluoromethoxy)-phenyl)methanone;SCHEMBL3833768;DTXSID40236740;Methanone, (4-chlorophenyl)[4-(trifluoromethoxy)phenyl]-;HKXKIYARIGTDNN-UHFFFAOYSA-N;MFCD04972992;AKOS015899582;4-Chloro-4'-(trifluoromethoxy)benzophenone;FT-0650859;4-Chlorophenyl-4'-(trifluoromethoxy)phenyl ketone

Chemical Property of (4-Chlorophenyl)(4-(trifluoromethoxy)phenyl)methanone

Chemical Property:

• Boiling Point: 344.7 °C at 760 mmHg
• Flash Point: 132.5 °C
• PSA: 26.30000
• Density: 1.367 g/cm³
• LogP: 4.46960
• Storage Temp.: 2-8°C
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 300.0164917
• Heavy Atom Count: 20
• Complexity: 330

Purity/Quality:

98%min ^*data from raw suppliers

(4-Chlorophenyl)(4-(trifluoromethoxy)-phenyl)methanone 95+% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)OC(F)(F)F

Technology Process of (4-Chlorophenyl)(4-(trifluoromethoxy)phenyl)methanone

There total 11 articles about (4-Chlorophenyl)(4-(trifluoromethoxy)phenyl)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%

1-trifluoromethoxybenzene (456-55-3) + 4-chloro-benzoyl chloride (122-01-0) → (4-chlorophenyl)(4-(trifluoromethoxy)phenyl)methanone (87996-55-2)

Guidance literature:

With hydrogen fluoride; boron trifluoride; at 10 ℃; for 3h;

Reference yield: 91.7%

→ (4-chlorophenyl)(4-(trifluoromethoxy)phenyl)methanone (87996-55-2)

Guidance literature:

Reference yield: 91.0%

(4-(trifluoromethoxy)phenyl)manganese(II) chloride + 4-chloro-benzoyl chloride (122-01-0) → (4-chlorophenyl)(4-(trifluoromethoxy)phenyl)methanone (87996-55-2)

Guidance literature:

In tetrahydrofuran; at 10 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c4ob01235f

upstream raw materials:

1-trifluoromethoxybenzene

4-chloro-benzoyl chloride

4-(trifluoromethoxy)benzonitrile

(4-chlorphenyl)magnesium bromide

Downstream raw materials:

(1RS,2R)-N-{(4-Chlorophenyl)[4-(trifluoromethoxy)phenyl]methyl}-1-oxo-1-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propan-2-amine

[1-(4-Chloro-phenyl)-1-(4-trifluoromethoxy-phenyl)-meth-(E)-ylidene]-hydrazine

Refernces

• 1、 Schirmer, Tobias Emanuel,Wimmer, Alexander,Weinzierl, Florian Wolfgang Clemens,K?nig, Burkhard. "Photo-nickel dual catalytic benzoylation of aryl bromides". supporting information. p. 10796 - 10799. Retrieved 2019/09/13.
• 2、 Peng, Zhihua,Li, Na,Sun, Xinyang,Wang, Fang,Xu, Lanjian,Jiang, Cuiyu,Song, Linhua,Yan, Zi-Feng. "The transition-metal-catalyst-free oxidative homocoupling of organomanganese reagents prepared by the insertion of magnesium into organic halides in the presence of MnCl2·2LiCl". . p. 7800 - 7809. Retrieved 2014/12/10.