4-(Trifluoromethoxy)benzaldehyde

Base Information

• Chemical Name: 4-(Trifluoromethoxy)benzaldehyde
• CAS No.: 659-28-9
• Molecular Formula: C8H5F3O2
• Molecular Weight: 190.122
• Hs Code.: 29130000
• European Community (EC) Number: 211-531-4
• DSSTox Substance ID: DTXSID60216105
• Nikkaji Number: J205.957F
• Wikidata: Q72511254
• ChEMBL ID: CHEMBL4545827
• Mol file: 659-28-9.mol

Synonyms:4-(Trifluoromethoxy)benzaldehyde;659-28-9;p-trifluoromethoxybenzaldehyde;4-trifluoromethoxybenzaldehyde;4-Trifluoromethoxy benzaldehyde;p-(Trifluoromethoxy)benzaldehyde;Benzaldehyde, 4-(trifluoromethoxy)-;4-Trifluoromethoxy-benzaldehyde;MFCD00041530;4-(trifluoromethoxy)-benzaldehyde;EINECS 211-531-4;BENZENESULFONAMIDE,4-[3-(4,9-DIHYDRO-6-METHOXY-3H-PYRIDO[3,4-B]INDOL-1-YL)-1-METHYLPROPYL]-N,N-DIETHYL-2,6-DIMETHYL-;A,A,A-Trifluoroanisaldehyde;SCHEMBL97114;4-trifluoromethoxybenzaidehyde;4-trifluormethoxy-benzaldehyde;4-tri-fluoromethoxybenzaldehyde;4-trifluoromethoxy-benz aldehyde;CHEMBL4545827;DTXSID60216105;4-(Trifluoromethoxy)benzaldehyde #;BBL100262;STL553828;AKOS001223013;4-(Trifluoromethoxy)benzaldehyde, 96%;AC-3865;PS-8383;SY016250;(4-CHLORO-PHENYL)-ACETICACIDHYDRAZIDE;A1763;AM20050514;CS-0046201;FT-0616872;T2256;EN300-24307;Q-200406;F0293-0179;Z179065758

Chemical Property of 4-(Trifluoromethoxy)benzaldehyde

Chemical Property:

• Appearance/Colour: clear colorless to pale yellow-green liquid
• Vapor Pressure: 0.438mmHg at 25°C
• Refractive Index: n20/D 1.458(lit.)
• Boiling Point: 194.6 °C at 760 mmHg
• Flash Point: 70.6 °C
• PSA: 26.30000
• Density: 1.343 g/cm³
• LogP: 2.39770
• Storage Temp.: Store below +30°C.
• Sensitive.: Air Sensitive
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 190.02416388
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

99% ^*data from raw suppliers

4-(Trifluoromethoxy)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-36/38-22
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=O)OC(F)(F)F
• Uses: 4-(Trifluoromethoxy)benzaldehyde is suitable for use in the synthesis of (E)-4-(trifluoromethoxy)benzaldehyde thiosemicarbazone. It may be used in the synthesis of:new azo dyes containing of 5(4H)-oxazolone ring2-[4-(trifluoromethoxy)phenyl]-1H-benzimidazole(E)-2-[4-(trifluoromethoxy)benzylidene]indan-1-one.

Technology Process of 4-(Trifluoromethoxy)benzaldehyde

There total 13 articles about 4-(Trifluoromethoxy)benzaldehyde 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: 95.0%

1-bromo-4-(trifluoromethoxy)benzene (407-14-7) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → p-trifluoromethoxybenzaldehyde (659-28-9)

Guidance literature:

1-bromo-4-(trifluoromethoxy)benzene; With n-butyllithium; In diethyl ether; hexane; at -75 ℃; for 0.75h;

N,N-dimethyl-formamide; In diethyl ether; hexane; at -75 ℃; Further stages.;

DOI:10.1002/1099-0690(200102)2001:4<691::AID-EJOC691>3.0.CO;2-A

Reference yield: 84.0%

4-trifluoromethoxybenzyl alcohol (1736-74-9) → p-trifluoromethoxybenzaldehyde (659-28-9)

Guidance literature:

With Bromotrichloromethane; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; In acetonitrile; at 20 ℃; for 24h; Schlenk technique; Irradiation; Inert atmosphere;

DOI:10.1016/j.tetlet.2021.153234

Reference yield: 62.0%

carbon monoxide (201230-82-2) + 1-trifluoromethoxybenzene (456-55-3) → p-trifluoromethoxybenzaldehyde (659-28-9)

Guidance literature:

With hydrogen fluoride; boron trifluoride; at 20 ℃; for 20h;

upstream raw materials:

4-trifluoromethoxybenzyl alcohol

carbon monoxide

1-trifluoromethoxybenzene

1-bromo-4-(trifluoromethoxy)benzene

Downstream raw materials:

2-thioxo-5-(4-trifluoromethoxy-phenyl)-oxazolidin-4-one

(2R,3S)-3-<4'-(trifluoromethoxy)phenyl>serine

N-4-trifluoromethoxybenzylidene-1,1-diphenylmethylamine

3-amino-3-[4-(trifluoromethoxy)phenyl]propionic acid