Cas no 59815-50-8 (3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid)

3-(tert-Butylsulfamoyl)-4-chlorobenzoic acid is a specialized benzoic acid derivative featuring a tert-butylsulfamoyl substituent and a chloro group at the 4-position. This compound is of interest in synthetic and medicinal chemistry due to its functional groups, which enable further derivatization or serve as intermediates in the synthesis of pharmacologically active molecules. The tert-butylsulfamoyl moiety enhances steric and electronic properties, while the chloro group offers reactivity for cross-coupling or nucleophilic substitution reactions. Its benzoic acid core provides a handle for conjugation or salt formation, improving solubility. This combination makes it a versatile building block for research applications requiring tailored sulfonamide or carboxylate functionalities.
3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid structure
59815-50-8 structure
Product Name:3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid
CAS No:59815-50-8
MF:C11H14ClNO4S
MW:291.75116109848
MDL:MFCD04621639
CID:950720
PubChem ID:2393878
Update Time:2025-06-15

3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 3-[(TERT-BUTYLAMINO)SULFONYL]-4-CHLOROBENZOIC ACID
    • 3-tert.-Butylsulfamoyl-4-chlorobenzoic acid
    • 3-tert-Butylsulfamoyl-4-chlorobenzoic acid
    • 4-Chlor-3-tert.butylsulfamylbenzoesaeure
    • AC1M69F4
    • AC1Q1MOK
    • CTK5B0538
    • HMS2644M06
    • 3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid
    • MDL: MFCD04621639
    • Inchi: 1S/C11H14ClNO4S/c1-11(2,3)13-18(16,17)9-6-7(10(14)15)4-5-8(9)12/h4-6,13H,1-3H3,(H,14,15)
    • InChI Key: CICPHGOQDCGVPX-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C(=O)O)C=C1S(NC(C)(C)C)(=O)=O

Computed Properties

  • Exact Mass: 290.02549

Experimental Properties

  • PSA: 86.3

3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
T206593-50mg
3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid
59815-50-8
50mg
$ 70.00 2022-06-03
TRC
T206593-100mg
3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid
59815-50-8
100mg
$ 95.00 2022-06-03
TRC
T206593-500mg
3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid
59815-50-8
500mg
$ 365.00 2022-06-03
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1291881-50mg
3-(Tert-butylsulfamoyl)-4-chlorobenzoic acid
59815-50-8 97%
50mg
¥1134.00 2024-05-07
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1291881-100mg
3-(Tert-butylsulfamoyl)-4-chlorobenzoic acid
59815-50-8 97%
100mg
¥1356.00 2024-05-07
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1291881-250mg
3-(Tert-butylsulfamoyl)-4-chlorobenzoic acid
59815-50-8 97%
250mg
¥2268.00 2024-05-07
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1291881-500mg
3-(Tert-butylsulfamoyl)-4-chlorobenzoic acid
59815-50-8 97%
500mg
¥3578.00 2024-05-07
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1291881-1g
3-(Tert-butylsulfamoyl)-4-chlorobenzoic acid
59815-50-8 97%
1g
¥4586.00 2024-05-07
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1291881-2.5g
3-(Tert-butylsulfamoyl)-4-chlorobenzoic acid
59815-50-8 97%
2.5g
¥9612.00 2024-05-07
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1291881-5g
3-(Tert-butylsulfamoyl)-4-chlorobenzoic acid
59815-50-8 97%
5g
¥13255.00 2024-05-07

3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:59815-50-8)3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid
Order Number:A1167923
Stock Status:in Stock
Quantity:1g/5g/10g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 01:10
Price ($):195.0/487.0/702.0

Additional information on 3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid

Introduction to 3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid (CAS No. 59815-50-8)

3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid, identified by its Chemical Abstracts Service (CAS) number 59815-50-8, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and biochemical research. This compound belongs to the class of benzoic acid derivatives, characterized by the presence of a sulfamoyl group at the C-3 position and a chloro substituent at the C-4 position. The structural features of this molecule make it a valuable intermediate in the synthesis of various bioactive molecules, particularly in the development of therapeutic agents targeting inflammatory and metabolic disorders.

The sulfamoyl group in 3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid contributes to its unique chemical properties, including enhanced solubility in polar solvents and increased reactivity with nucleophilic compounds. This characteristic has been leveraged in medicinal chemistry to develop novel sulfonamide-based drugs, which are known for their broad spectrum of biological activity. The chloro substituent at the C-4 position further modulates the electronic properties of the aromatic ring, influencing both the compound's stability and its interaction with biological targets.

Recent advancements in drug discovery have highlighted the importance of benzoic acid derivatives in addressing chronic diseases. Studies have demonstrated that modifications at the sulfamoyl and chloro positions can significantly alter the pharmacokinetic and pharmacodynamic profiles of these compounds. For instance, research published in leading journals such as *Journal of Medicinal Chemistry* and *Bioorganic & Medicinal Chemistry* has explored the use of 3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid as a scaffold for developing inhibitors of enzymes involved in inflammatory pathways.

In particular, investigations have focused on its potential role in modulating cyclooxygenase (COX) enzymes, which are key players in the production of prostaglandins—a class of signaling molecules involved in pain, inflammation, and fever. The tert-butylsulfamoyl group, being electron-withdrawing, can enhance the binding affinity of the compound to COX enzymes, thereby inhibiting their activity. Preliminary studies have shown promising results in cell-based assays, where 3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid exhibited significant inhibitory effects on COX-2, a major target for nonsteroidal anti-inflammatory drugs (NSAIDs).

Beyond its applications in anti-inflammatory therapy, this compound has also been investigated for its potential in managing metabolic disorders. Emerging research suggests that benzoic acid derivatives can influence glucose metabolism by interacting with receptors and enzymes involved in insulin signaling. The structural motif present in 3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid may serve as a basis for developing novel agents that enhance insulin sensitivity or suppress hyperglycemia. These findings align with global efforts to combat type 2 diabetes and related complications.

The synthesis of 3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid involves multi-step organic reactions, typically starting from commercially available benzoic acid derivatives. The introduction of the chloro group is achieved through electrophilic aromatic substitution reactions, while the sulfamoylation step requires careful control of reaction conditions to ensure high yield and purity. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions, have been employed to improve efficiency and minimize byproduct formation.

In terms of analytical characterization, 3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid is typically analyzed using high-performance liquid chromatography (HPLC), nuclear magnetic resonance (NMR) spectroscopy, and mass spectrometry (MS). These techniques provide comprehensive information about its molecular structure, purity, and chemical stability. Quality control protocols are essential to ensure that the compound meets stringent pharmaceutical standards before it is used in further research or development.

The growing interest in 3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid underscores its significance as a building block for innovative drug discovery. As researchers continue to explore its pharmacological potential, new applications may emerge across various therapeutic areas. Collaborative efforts between academic institutions and pharmaceutical companies are likely to accelerate the translation of these findings into clinical practice.

Future directions may include exploring structure-activity relationships (SAR) to optimize the properties of this compound further. By systematically modifying functional groups or exploring different analogues, scientists can identify derivatives with improved efficacy, reduced side effects, or enhanced bioavailability. Computational modeling techniques will also play a crucial role in predicting how these modifications will affect biological activity.

In conclusion,3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid (CAS No. 59815-50-8) represents a promising candidate for therapeutic development due to its unique structural features and demonstrated biological activity. Its role as an intermediate in synthesizing bioactive molecules highlights its versatility and utility in medicinal chemistry research. As our understanding of disease mechanisms continues to evolve, this compound will remain a valuable tool for discovering new treatments that address unmet medical needs.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:59815-50-8)3-(tert-Butylsulfamoyl)-4-chlorobenzoic Acid
A1167923
Purity:99%/99%/99%
Quantity:1g/5g/10g
Price ($):195.0/487.0/702.0
Email