4'-Trifluoromethyl-3,4-dimethoxybenzophenone

Base Information

• Chemical Name: 4'-Trifluoromethyl-3,4-dimethoxybenzophenone
• CAS No.: 116412-99-8
• Molecular Formula: C16H13 F3 O3
• Molecular Weight: 310.27
• DSSTox Substance ID: DTXSID00558637
• Mol file: 116412-99-8.mol

Synonyms:116412-99-8;4'-TRIFLUOROMETHYL-3,4-DIMETHOXYBENZOPHENONE;(3,4-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone;Methanone, (3,4-dimethoxyphenyl)[4-(trifluoromethyl)phenyl]-;(3,4-Dimethoxyphenyl)(4-(trifluoromethyl)phenyl)methanone;(3,4-DIMETHOXYPHENYL)[4-(TRIFLUOROMETHYL)PHENYL]METHANONE;4'-(Trifluoromethyl)-3,4-Dimethoxybenzophenone;SCHEMBL3962287;DTXSID00558637;MFCD16619235;AKOS015912232;3,4-dimethoxy-4'-trifluoromethylbenzophenone;E87222

Chemical Property of 4'-Trifluoromethyl-3,4-dimethoxybenzophenone

Chemical Property:

• Melting Point: 111-113oC
• PSA: 35.53000
• Density: 1.245
• LogP: 3.95360
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 310.08167876
• Heavy Atom Count: 22
• Complexity: 375

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)C(F)(F)F)OC
• Uses: (3,4-Dimethoxyphenyl)(4-(trifluoromethyl)phenyl)methanone is a useful reagent in the preparation of benzophenones as fungicide intermediates.

Technology Process of 4'-Trifluoromethyl-3,4-dimethoxybenzophenone

There total 3 articles about 4'-Trifluoromethyl-3,4-dimethoxybenzophenone 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:

1,2-dimethoxybenzene (91-16-7) + 4-trifluoromethyl-phenyl acetyl chloride (329-15-7) → (3,4-dimethoxyphenyl)(4-(trifluoromethyl)phenyl)methanone (116412-99-8)

Guidance literature:

With tin(IV) chloride; In dichloromethane; for 11.75h; Heating / reflux;

Reference yield:

1,2-dimethoxybenzene (91-16-7) + 4-trifluoromethylbenzoic acid (455-24-3) → (3,4-dimethoxyphenyl)(4-(trifluoromethyl)phenyl)methanone (116412-99-8)

Guidance literature:

With polyphosphoric acid; at 90 ℃; for 5h;

DOI:10.1080/07391102.2020.1764867

Reference yield:

→ (3,4-dimethoxyphenyl)(4-(trifluoromethyl)phenyl)methanone (116412-99-8)

Guidance literature:

Resorcinolether, entspr. Benzoylchlorid;

upstream raw materials:

1,2-dimethoxybenzene

4-trifluoromethyl-phenyl acetyl chloride

4-trifluoromethylbenzoic acid

Downstream raw materials:

(E/Z)-3-methoxycarbonyl-4-(4-(trifluoromethyl)phenyl)-4-(3,4-dimethoxyphenyl)-3-butenoic acid

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