2-[4-(Trifluoromethyl)phenyl]benzaldehyde

Base Information

• Chemical Name: 2-[4-(Trifluoromethyl)phenyl]benzaldehyde
• CAS No.: 84392-23-4
• Molecular Formula: C14H9F3O
• Molecular Weight: 250.22
• Hs Code.: 2913000090
• European Community (EC) Number: 673-280-0
• DSSTox Substance ID: DTXSID10382228
• Nikkaji Number: J896.848I
• Wikidata: Q72512314
• Mol file: 84392-23-4.mol

Synonyms:84392-23-4;2-[4-(trifluoromethyl)phenyl]benzaldehyde;4'-(Trifluoromethyl)-[1,1'-biphenyl]-2-carbaldehyde;4'-(Trifluoromethyl)biphenyl-2-carbaldehyde;4'-trifluoromethylbiphenyl-2-carbaldehyde;4'-(trifluoromethyl)[1,1'-biphenyl]-2-carbaldehyde;4'-Trifluoromethyl-biphenyl-2-carbaldehyde;SCHEMBL416843;4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxaldehyde;DTXSID10382228;AR1232;MFCD01631855;AKOS004113969;4'-Trifluoromethyl-2-biphenylcarbaldehyde;AS-45062;4'-trifluoromethyl-2-biphenylcarboxaldehyde;BB 0222576;FT-0641953;VU0549453-1;EN300-234905;A840772;4'-(trifluoromethyl)-1,1-biphenyl-2-carboxaldehyde;2-[4-(Trifluoromethyl)phenyl]benzaldehyde, AldrichCPR;F9995-1261;4'-(Trifluoromethyl)-1,1'-biphenyl-2-carboxaldehyde, 96%

Chemical Property of 2-[4-(Trifluoromethyl)phenyl]benzaldehyde

Chemical Property:

• Refractive Index: n20/D1.552
• Boiling Point: 324.6 °C at 760 mmHg
• Flash Point: 158.3 °C
• PSA: 17.07000
• Density: 1.251 g/cm³
• LogP: 4.18490
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 250.06054939
• Heavy Atom Count: 18
• Complexity: 279

Purity/Quality:

97% ^*data from raw suppliers

2-[4-(Trifluoromethyl)phenyl]benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,N,Xn
• Statements: 36/37/38-51/53-22
• Safety Statements: 26-36/37/39-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=O)C2=CC=C(C=C2)C(F)(F)F
• Uses: 2-[4-(Trifluoromethyl)Phenyl]Benzaldehyde is a useful reactant for organic reactions.

Technology Process of 2-[4-(Trifluoromethyl)phenyl]benzaldehyde

There total 11 articles about 2-[4-(Trifluoromethyl)phenyl]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: 94.0%

2-formylbenzene boronic acid (40138-16-7) + 4-chlorobenzotrifluoride (98-56-6) → 4'-Trifluoromethyl-2-biphenylcarbaldehyde (84392-23-4)

Guidance literature:

With (3-phenylallyl)(chloro)-[1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene]palladium(II); potassium carbonate; In ethanol; water; at 80 ℃; for 4h; Sealed tube; Green chemistry;

DOI:10.1002/ejoc.201500043

Reference yield: 79.0%

3-Methyl-2-(4'-trifluoromethyl-biphenyl-2-yl)-oxazolidin-4-one → 4'-Trifluoromethyl-2-biphenylcarbaldehyde (84392-23-4)

Guidance literature:

With hydrogenchloride; In water; for 4h; Heating;

DOI:10.1002/hlca.19970800714

Reference yield: 73.0%

4-trifluoromethylphenylboronic acid (128796-39-4) + ortho-bromobenzaldehyde (6630-33-7) → 4'-Trifluoromethyl-2-biphenylcarbaldehyde (84392-23-4)

Guidance literature:

With palladium diacetate; triphenylphosphine-3,3',3''-trisulfonic acid trisodium salt; isopropylamine; In water monomer; acetonitrile; at 80 ℃; for 4h;

DOI:10.1016/S0040-4039(01)01301-6

upstream raw materials:

4-trifluoromethylphenylboronic acid

ortho-bromobenzaldehyde

2-chloro-benzaldehyde

2-bromo-4’-trifluoromethyl-1,1’-biphenyl

Downstream raw materials:

C₂₁H₁₆F₃NO₂S

C₂₁H₁₆F₃NO₂S

4'-(trifluoromethyl)-2-biphenylcarboxylic acid