4'-Trifluoromethylbiphenyl-4-carboxaldehyde

Name: 4'-Trifluoromethylbiphenyl-4-carboxaldehyde
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 90035-34-0
Cat. No. CS-M1756
Purity≥97%
MDL No.MFCD01862519

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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4'-Trifluoromethylbiphenyl-4-carboxaldehyde|CS-M1756

Structure of 90035-34-0

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General Information

CAS No. 90035-34-0
Cat. No. CS-M1756
Purity ≥97%
MDL No. MFCD01862519
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₉F₃O
Molecular Weight 250.22
Synonym(s) 4'-Trifluoromethyl-biphenyl-4-carbaldehyde
SMILES O=CC1=CC=C(C2=CC=C(C(F)(F)F)C=C2)C=C1

Description

4'-Trifluoromethylbiphenyl-4-carboxaldehyde features a rigid biphenyl scaffold bearing a trifluoromethyl group at the para position and a reactive aldehyde handle at the terminal phenyl ring. This electron-deficient aldehyde integrates readily into Suzuki-Miyaura coupling sequences and serves as a key building block for conjugated materials in organic electronics. The trifluoromethyl moiety enhances metabolic stability and lipophilicity, improving performance in functional molecular architectures.

Application

4'-Trifluoromethylbiphenyl-4-carboxaldehyde serves as a versatile building block for the synthesis of functionalized biaryl scaffolds and heterocyclic systems. Its aldehyde functionality enables efficient imine formation, reductive amination, and transition-metal-catalyzed coupling reactions. The trifluoromethyl group enhances metabolic stability and modulates electronic properties, making it valuable in medicinal chemistry lead optimization. Bench-stable and compatible with standard purification methods, it facilitates scalable synthesis in industrial R&D workflows.

Synthesis

Route1
- In-stock
  
  128796-39-4
- In-stock
  
  1122-91-4
- ~93%
- In-stock
  
  90035-34-0
References
- Pfizer Inc. Patent: US2012/165343 A1, 2012 ; Location in patent: Page/Page column 15 ;
Route2
- In-stock
  
  402-43-7
- In-stock
  
  87199-17-5
- ~90%
- In-stock
  
  90035-34-0
References
- BAYER HEALTHCARE AG Patent: WO2006/63811 A2, 2006 ; Location in patent: Page/Page column 30 ;
Route3
- In-stock
  
  402-43-7
- In-stock
  
  128376-64-7
- ~91%
- In-stock
  
  90035-34-0
References
- PROZYMEX A/S; PEDERSEN, John; LAURITZEN, Conni Patent: WO2012/130299 A1, 2012 ; Location in patent: Page/Page column 113 ; WO 2012/130299 A1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 17.07
LogP 4.1849
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Aldehyde

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Material Science Material Building Blocks Liquid Crystal (LC) Building Blocks Acetophenones

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4'-Trifluoromethylbiphenyl-4-carboxaldehyde

CAS No. 90035-34-0

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