3,5-Difluoro-4-formylbenzoic acid

Name: 3,5-Difluoro-4-formylbenzoic acid
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 736990-88-8
Cat. No. CS-0042772
Purity≥95%
MDL No.MFCD09835188

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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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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3,5-Difluoro-4-formylbenzoic acid|CS-0042772

Structure of 736990-88-8

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General Information

CAS No. 736990-88-8
Cat. No. CS-0042772
Purity ≥95%
MDL No. MFCD09835188
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄F₂O₃
Molecular Weight 186.11
Synonym(s) 4-CARBOXY-2,6-DIFLUOROBENZALDEHYDE
SMILES O=C(O)C1=CC(F)=C(C=O)C(F)=C1

Description

3,5-Difluoro-4-formylbenzoic acid features a formyl group flanked by two fluorine substituents at the meta positions, delivering enhanced electrophilicity and metabolic stability. This electron-deficient aromatic scaffold integrates readily into diverse synthetic sequences, enabling efficient access to functionalized biaryl systems and heterocyclic architectures under standard conditions.

Application

3,5-Difluoro-4-formylbenzoic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation of electron-withdrawing fluorine substituents and a reactive aldehyde handle for late-stage functionalization. Its bench-stable structure facilitates efficient amide coupling, reductive amination, or heterocycle formation under standard conditions, supporting rapid diversification of bioactive scaffolds.

Synthesis

Route1
- 107-31-3
- In-stock
  
  455-40-3
- ~34%
- In-stock
  
  736990-88-8
References
- ALMIRALL, S.A.; DRACONIS PHARMA, S.L.; LABORATORIOS DEL DR. ESTEVE, S.A.; AGUILAR, Nuria; FERNANDEZ, Joan, Carles; TERRICABRAS, Emma; CARCELLER GONZALEZ, Elena; SALAS SOLANA, Jordi Patent: WO2013/149997 A1, 2013 ; Location in patent: Page/Page column 97; 98 ;
Route2
- In-stock
  
  455-40-3
- 68-12-2
- ~%
- In-stock
  
  736990-88-8
References
- Furmick, Julie K.; Kaneko, Ichiro; Walsh, Angela N.; Yang, Joanna; Bhogal, Jaskaran S.; Gray, Geoffrey M.; Baso, Juan C.; Browder, Drew O.; Prentice, Jessica L.S.; Montano, Luis A.; Huynh, Chanh C.; Marcus, Lisa M.; Tsosie, Dorian G.; Kwon, Jungeun S.; Quezada, Alexis; Reyes, Nicole M.; Lemming, Brittney; Saini, Puneet; vanderVaart, Arjan; Groy, Thomas L.; Marshall, Pamela A.; Jurutka, Peter W.; Wagner, Carl E. ChemMedChem, 2012 , vol. 7, # 9 p. 1551 - 1566

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 54.37
LogP 1.4755
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Aldehyde

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3,5-Difluoro-4-formylbenzoic acid

CAS No. 736990-88-8

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