4657-56-1

Basic information

• Product Name: Benzoic acid, 4-chloro-2-formyl-
• Synonyms: Benzoic acid, 4-chloro-2-formyl-
• CAS NO: 4657-56-1
• Molecular Formula: C₈H₅ClO₃
• Molecular Weight: 184.5765
• Mol File: 4657-56-1.mol
• Article Data: 7

Chemical Properties

• Melting Point: 184-186 °C
• Boiling Point: 347.3±27.0 °C(Predicted)
• Appearance: /
• Density: 1.469±0.06 g/cm3(Predicted)
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 4.34±0.10(Predicted)
• CAS DataBase Reference: Benzoic acid, 4-chloro-2-formyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-chloro-2-formyl-(4657-56-1)
• EPA Substance Registry System: Benzoic acid, 4-chloro-2-formyl-(4657-56-1)

Safety Data

• Hazardous Substances Data: 4657-56-1(Hazardous Substances Data)

Usage

Description

Benzoic acid, 4-chloro-2-formyl-, also known as 4-chloro-2-formylbenzoic acid, is an organic compound with the molecular formula C7H5ClO3. It is a derivative of benzoic acid, featuring a chlorine atom at the 4-position and an aldehyde group at the 2-position. Benzoic acid, 4-chloro-2-formylis known for its reactivity and potential applications in the synthesis of various organic compounds.

Uses

Used in Organic Synthesis:
Benzoic acid, 4-chloro-2-formyl-, is used as a reagent for the preparation of 3-(3-oxoalkyl)isocoumarins through a tandem reductive rearrangement of 3-furylphthalides. This process allows for the synthesis of complex organic molecules with potential applications in various fields, such as pharmaceuticals and materials science.
Used in Catalyst-Free Synthesis:
Benzoic acid, 4-chloro-2-formylis also suitable for the synthesis of 2-substituted-3-(1H-indol-3-yl)isoindolin-1-one derivatives in water without the need for a catalyst. This environmentally friendly and efficient method can be applied in the production of various organic compounds, including potential drug candidates and other specialty chemicals.

Upstream product

• 4673-39-6 3-bromo-5-chloroisobenzofuran-1(3H)-one 
• 54109-03-4 5-chloro-3H-isobenzofuran-1-one 
• 65399-05-5 5-amino-3H-isobenzofuran-1-one 
• 640286-60-8 2-formyl-4-chloro-N-methylbenzamide 
• 19641-29-3 6-chlorophthalide 
• 1001336-16-8 methyl 4-chloro-2-formylbenzoate 
• 936-08-3 2-bromo-4-chlorobenzoic acid 
• 68-12-2 N,N-dimethyl-formamide 

Downstream Products

• 57835-96-8 6-chlorophthalazine-1(2H)-one 
• 871502-91-9 4-chloro-2-bis(5-methyl-2-furyl)methylbenzoic acid 
• 871502-98-6 {2-[bis-(5-methyl-furan-2-yl)-methyl]-4-chloro-phenyl}-methanol 
• 124556-78-1 1,6-dichlorophthalazine 
• 1460037-18-6 5-chloro-2-(morpholine-4-carbonyl)benzaldehyde 
• 1605303-07-8 2-benzyl-5-chloro-3-(1H-indol-3-yl)isoindolin-1-one 
• 1001336-16-8 methyl 4-chloro-2-formylbenzoate 
• 1449517-45-6 2-oxopropyl 4-chloro-2-formylbenzoate 
• 1594103-36-2 C₁₄H₁₀ClNO 

Relevant articles and documents

Indium-Catalyzed C?F Bond Transformation through Oxymetalation/β-Fluorine Elimination to Access Fluorinated Isocoumarins

Fluorinated heterocycles have attracted much attention in the pharmaceutical and agrochemical industries. Many strategies have already been developed to achieve the synthesis of fluorinated heterocycles. Formidable challenges remain, however, in the synthesis of fluorinated isocoumarin derivatives that are among the most alluring structural motifs. Herein, the indium-catalyzed C?F bond transformation of 2-(2,2-difluorovinyl) benzoates is reported, which are readily accessible compounds, to give a diverse array of fluorinated isocoumarins. The present reaction proceeds smoothly using inexpensive reagents: a catalytic amount of indium salt in the presence of zinc salt. A theoretical calculation of potential energy profiles showed that the reaction consists of oxymetalation with the elimination of alkyl halide and the β-fluorine elimination.

Highly enantioselective synthesis of 2,3-dihydro-1 H-imidazo[2,1-a isoindol-5(9b H)-ones via catalytic asymmetric intramolecular cascade imidization-nucleophilic addition-lactamization

Highly enantioselective catalytic asymmetric intramolecular cascade imidization-nucleophilic addition-lactamization of N1-alkylethane-1,2-diamine with methyl 2-formylbenzoate catalyzed by a chiral phosphoric acid represents the first efficient method for the preparation of medicinally interesting chiral 2,3-dihydro-1H-imidazo[2,1-a]isoindol-5(9bH)-ones with high yields and excellent enantioselectivities. This strategy has been shown to be quite general toward various methyl 2-formylbenzoates.

CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME

Provided herein are carbamate compounds which may be useful in the treatment of, for example, pain, solid tumors and/or obesity.