36823-82-2

Basic information

• Product Name: 4-isopropoxybenzoyl chloride
• Synonyms: 4-(1-Methylethoxy)benzoic acid chloride;benzoyl chloride, 4-(1-methylethoxy)-
• CAS NO: 36823-82-2
• Molecular Formula: C₁₀H₁₁ClO₂
• Molecular Weight: 198.65
• EINECS: 253-229-5
• Mol File: 36823-82-2.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 286.8°C at 760 mmHg
• Flash Point: 106.8°C
• Appearance: /
• Density: 1.146g/cm³
• Vapor Pressure: 0.00259mmHg at 25°C
• Refractive Index: 1.516
• CAS DataBase Reference: 4-isopropoxybenzoyl chloride(CAS DataBase Reference)
• NIST Chemistry Reference: 4-isopropoxybenzoyl chloride(36823-82-2)
• EPA Substance Registry System: 4-isopropoxybenzoyl chloride(36823-82-2)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 36823-82-2(Hazardous Substances Data)

Usage

General Description

4-Isopropoxybenzoyl chloride is a chemical compound with the formula C10H11ClO2. It is an aromatic benzoyl chloride derivative with an isopropoxy group attached to the benzene ring. 4-Isopropoxybenzoyl chloride is commonly used as a reagent in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. It is a versatile building block in the production of various esters, amides, and other functionalized compounds. 4-Isopropoxybenzoyl chloride is a reactive compound and should be handled with caution, as it can cause irritation to the skin, eyes, and respiratory system.

InChI:InChI=1/C10H11ClO2/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3

Upstream product

• 99-96-7 4-hydroxy-benzoic acid 
• 122488-52-2 ethyl 4-isopropoxybenzoate 
• 120-47-8 Ethyl 4-hydroxybenzoate 
• 13205-46-4 4-isopropoxybenzoic acid 

Downstream Products

• 89541-99-1 methyl 5-(4-i-propoxybenzoyl)-6-methylthio-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylate 
• 113628-62-9 6-Chloro-3-(4-isopropoxy-phenyl)-[1,2,4]triazolo[3,4-a]phthalazine 
• 139233-25-3 N-Benzothiazol-2-yl-4-isopropoxy-benzamide 
• 15788-88-2 4-isopropoxy-benzoic acid-(2-diethylamino-ethyl ester) 

Relevant articles and documents

Novel domino synthesis of 2-(2,3.4-substituted phenyl) quinazolin-4-amine

Convenient domino protocol was developed for the synthesis of 2-arylquinazolin-4-amines by the reaction of N-(2-cyanophenyl) substituted benzimidoyl isothiocyanates with isopropyl amine. The major advantages of this protocol are short reaction times, mild conditions, simple work up, high yields, and pure products. The efficacy of this protocol owes to the competence of synthesis, pure isolation of imidoyl isothiocyanates, and the unique structure conformation of the corresponding intermediate thiourea derivatives.

Synthesis, structure-activity relationships, cocrystallization and cellular characterization of novel smHDAC8 inhibitors for the treatment of schistosomiasis

Schistosomiasis is a major neglected parasitic disease that affects more than 265 million people worldwide and for which the control strategy consists of mass treatment with the only available drug, praziquantel. In this study, we chemically optimized our previously reported benzhydroxamate-based inhibitors of Schistosoma mansoni histone deacetylase 8 (smHDAC8). Crystallographic analysis provided insights into the inhibition mode of smHDAC8 activity by the highly potent inhibitor 5o. Structure-based optimization of the novel inhibitors was carried out using the available crystal structures as well as docking studies on smHDAC8. The compounds were evaluated in screens for inhibitory activity against schistosome and human HDACs (hHDAC). The in vitro and docking results were used for detailed structure activity relationships. The synthesized compounds were further investigated for their lethality against the schistosome larval stage using a fluorescence-based assay. The most promising inhibitor 5o showed significant dose-dependent killing of the schistosome larvae and markedly impaired egg laying of adult worm pairs maintained in culture.

Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics

Small molecule choline kinase inhibitors having the following formula: are provided herein. Also provided herein are pharmaceutical compositions containing Formula I compounds, together with methods of treating cancer, methods of inhibiting choline kinase enzymatic activity, and methods of treating tumors by administering an effective amount of a Formula I compound.