3285-31-2

Basic information

• Product Name: 2-BROMO-5-CHLOROSULFONYL-BENZOIC ACID
• Synonyms: 2-BROMO-5-CHLOROSULFONYL-BENZOIC ACID
• CAS NO: 3285-31-2
• Molecular Formula: C₇H₄BrClO₄S
• Molecular Weight: 299.53
• Mol File: 3285-31-2.mol
• Article Data: 10

Chemical Properties

• Melting Point: 151-154 °C
• Boiling Point: 411.0±35.0 °C(Predicted)
• Appearance: /
• Density: 1.934±0.06 g/cm3(Predicted)
• PKA: 1.65±0.10(Predicted)
• CAS DataBase Reference: 2-BROMO-5-CHLOROSULFONYL-BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BROMO-5-CHLOROSULFONYL-BENZOIC ACID(3285-31-2)
• EPA Substance Registry System: 2-BROMO-5-CHLOROSULFONYL-BENZOIC ACID(3285-31-2)

Safety Data

• Hazardous Substances Data: 3285-31-2(Hazardous Substances Data)

Usage

General Description

2-Bromo-5-chlorosulfonyl-benzoic acid is a chemical compound with the molecular formula C7H4BrClO4S. It is a derivative of benzoic acid with bromine and chlorine substitutions at the 2 and 5 positions, as well as a sulfonyl group. 2-BROMO-5-CHLOROSULFONYL-BENZOIC ACID is commonly used as a building block in organic synthesis for the production of various pharmaceuticals, agrochemicals, and dyes. It can also be used as a reagent in the synthesis of other compounds due to its strong electron-withdrawing properties. Additionally, it has potential applications in materials science and as a research tool in chemical and biological studies.

Upstream product

• 109-05-7 2-Methylpiperidin 
• 88-65-3 2-bromobenzoic-acid 

Downstream Products

• 1429347-18-1 2-bromo-5-(N-(4-ethylphenyl)-N-isobutylsulfamoyl)benzoic acid 
• 1474110-21-8 N-(4-ethylphenyl)-3-(hydroxymethyl)-N-isobutyl-4-((tetrahydro-2H-pyran-4-yl)methoxy)benzenesulfonamide 
• 1219139-30-6 1-[4-bromo-3-(4-ethylpiperazin-1-yl-methyl)phenylsulfonyl]-5-methoxy-1H-indole 
• 1219139-29-3 1-[4-bromo-3-(4-methylpiperazin-1-yl-methyl)phenylsulfonyl]-5-methoxy-1H-indole 
• 1219139-31-7 1-[4-bromo-3-(4-ethylpiperazin-1-yl-methyl)phenylsulfonyl]-5-fluoro-1H-indole 

Relevant articles and documents

Nucleophilic Aromatic Substitutions of 2-Halo-5-(sulfamoyl)benzoic Acids and N, O-Bis-alkylation via Phase Transfer Catalysis: Synthesis of RoRγInverse Agonist GSK2981278A

GSK2981278A (1) is a RORγinverse agonist used as a potential topical nonsteroidal therapy for psoriasis. New synthesis of 1 was developed based on a SNAr reaction of (tetrahydro-2H-pyran-4-yl)methanol with an aryl halide intermediate, prepared from 2-halobenzoic acids. The dianion underwent in situ N,O-bis-isobutylation, followed by a reduction to provide 1. The new route eliminated a genotoxic tosylate of (tetrahydro-2H-pyran-4-yl)methanol and a difficult reductive amination from the original synthesis starting from methyl salicylate. A primary version of the route has been scaled up to deliver 125 kg of 1. However, the heating of a strong base in DMSO for an extended period during the bis-alkylation was found to be a safety concern for manufacturing. A safer and greener process was then developed utilizing a facile N,O-bis-alkylation, which was conducted under phase transfer conditions with mild bases such as potassium carbonate and in green solvents such as water. The concise four stage sequence from 2-halobenzoic acids to GSK2981278A (1) had an overall yield of 41%.

2,4-DIOXO-QUINAZOLINE-6-SULFONAMIDE DERIVATIVES AS INHIBITORS OF PARG

The present invention relates to compounds of formula I that function as inhibitors of PARG (Poly ADP-ribose glycohydrolase) enzyme activity wherein R1a, R1b, R1c, R1d, R1e, W, X1, X2, X3, X4, X5, X6, X7, c are each as defined herein. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of proliferative disorders, such as cancer, as well as other diseases or conditions in which PARG activity is implicated.

Chemical Compounds

The present invention relates to imidazopyridazine derivatives. More particularly, it relates to 4-(biphenyl-3-yl)-7H-imidazo[4,5-c]pyridazine derivatives of formula (I): and pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4 and R5 are as defined in the description. The imidazopyridazine derivatives of the present invention modulate the activity of the GABAA receptor. They are useful in the treatment of a number of conditions, including pain.