4-(Trifluoromethoxy)benzoyl fluoride

Base Information

• Chemical Name: 4-(Trifluoromethoxy)benzoyl fluoride
• CAS No.: 330-11-0
• Molecular Formula: C8H4 F4 O2
• Molecular Weight: 208.112
• European Community (EC) Number: 206-351-8
• DSSTox Substance ID: DTXSID5059820
• Nikkaji Number: J193.757J
• Wikidata: Q81988963
• Mol file: 330-11-0.mol

Synonyms:4-(Trifluoromethoxy)benzoyl fluoride;330-11-0;Benzoyl fluoride, 4-(trifluoromethoxy)-;EINECS 206-351-8;4-trifluoromethoxybenzoyl fluoride;SCHEMBL7714214;DTXSID5059820;p-Trifluoromethoxybenzoyl fluoride;MFCD00040836;FT-0743297

Chemical Property of 4-(Trifluoromethoxy)benzoyl fluoride

Chemical Property:

• Vapor Pressure: 0.93mmHg at 25°C
• Boiling Point: 179.7°Cat760mmHg
• Flash Point: 61.2°C
• PSA: 26.30000
• Density: 1.384g/cm³
• LogP: 2.69490
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 208.01474201
• Heavy Atom Count: 14
• Complexity: 206

Purity/Quality:

98%min ^*data from raw suppliers

4-(TRIFLUOROMETHOXY)BENZOYL FLUORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(Trifluoromethoxy)benzoyl fluoride

There total 6 articles about 4-(Trifluoromethoxy)benzoyl fluoride 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: 67.0%

p-trifluoromethoxybenzaldehyde (659-28-9) → 4-(trifluoromethoxy)benzoyl fluoride (330-11-0)

Guidance literature:

With trichloroisocyanuric acid; cesium fluoride; In acetonitrile; at 20 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.0c04087

Reference yield: 52.0%

4-(trifluoromethoxy)benzoyl chloride (36823-88-8) → 4-(trifluoromethoxy)benzoyl fluoride (330-11-0)

Guidance literature:

With potassium fluoride; 18-crown-6 ether; In tetrahydrofuran; at 40 ℃; for 24h; Schlenk technique;

DOI:10.1002/anie.202008040

Reference yield: 23.0%

4-trifluoromethoxybenzyl alcohol (1736-74-9) → 4-(trifluoromethoxy)benzoyl fluoride (330-11-0)

Guidance literature:

With trichloroisocyanuric acid; cesium fluoride; In acetonitrile; at 20 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.0c04087

upstream raw materials:

4-(Trichloromethoxy)benzoyl chloride

4-methoxy-benzoyl chloride

4-(trifluoromethoxy)benzoyl chloride

p-trifluoromethoxybenzaldehyde

Downstream raw materials:

m-tolyl(4-(trifluoromethoxy)phenyl)methanone

2-methyl-6-(trifluoromethoxy)benzo[d]thiazole

4-(trifluoromethoxy)aniline

N-(4-(trifluoromethoxy)phenyl)acetamide

Refernces

• 1、 Liang, Yumeng,Zhao, Zhengyu,Taya, Akihito,Shibata, Norio. "Acyl fluorides from carboxylic acids, aldehydes, or alcohols under oxidative fluorination". supporting information. p. 847 - 852. Retrieved 2021/02/06.
• 2、 -. "Chlorination of 4-methoxybenzoyl chloride". . . Retrieved 2008/06/13.