235112-66-0

Basic information

• Product Name: 1H-Benzo[d][1,2,3]triazol-1-yl 4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoate
• Synonyms: 1-[4-[5-(4-Pentyloxyphenyl)isoxazol-3-yl]benzoyloxy]-1H-1,2,3-benzotriazole;1H-Benzo[d][1,2,3]triazol-1-yl 4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoate;Anidulafungin Intermediates 1
• CAS NO: 235112-66-0
• Molecular Formula: C₂₇H₂₄N₄O₄
• Molecular Weight: 468.50386
• Mol File: 235112-66-0.mol

Chemical Properties

• Boiling Point: 669.2±65.0 °C(Predicted)
• Appearance: /
• Density: 1.28±0.1 g/cm3(Predicted)
• PKA: -1.03±0.30(Predicted)
• CAS DataBase Reference: 1H-Benzo[d][1,2,3]triazol-1-yl 4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Benzo[d][1,2,3]triazol-1-yl 4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoate(235112-66-0)
• EPA Substance Registry System: 1H-Benzo[d][1,2,3]triazol-1-yl 4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoate(235112-66-0)

Safety Data

• Hazardous Substances Data: 235112-66-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1H-Benzo[d][1,2,3]triazol-1-yl 4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoate is used as a pharmaceutical candidate for drug development due to its unique structure and potential biological activity. Its complex molecular architecture and the presence of aromatic rings and heterocyclic moieties may contribute to its pharmacological properties, making it a valuable target for the discovery of new therapeutic agents.
Used in Medicinal Chemistry Research:
1H-Benzo[d][1,2,3]triazol-1-yl 4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoate is used as a subject of study in medicinal chemistry research to explore its chemical and pharmacological properties. 1H-Benzo[d][1,2,3]triazol-1-yl 4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoate's unique structure and potential biological activity make it an interesting target for further investigation, with the aim of understanding its interactions with biological targets and its potential applications in the development of new drugs.
Used in Materials Science:
1H-Benzo[d][1,2,3]triazol-1-yl 4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoate is used in materials science for the development of novel materials with specific properties. 1H-Benzo[d][1,2,3]triazol-1-yl 4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoate's complex structure and the presence of aromatic rings and heterocyclic moieties may contribute to the creation of materials with unique characteristics, such as improved stability, reactivity, or selectivity, which can be applied in various industrial processes or technologies.

Upstream product

• 2592-95-2 benzotriazol-1-ol 
• 179162-55-1 4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzoic acid 
• 1571-08-0 methyl 4-formylbenzoate 
• 179162-64-2 methyl 4-[5-(4-n-pentyloxyphenyl)isoxazol-3-yl]benzoate 
• 5467-56-1 4-pentyloxyacetophenone 
• 110-53-2 1-Bromopentane 
• 99-93-4 4-Hydroxyacetophenone 
• 101023-70-5 4-methoxycarbonylbenzhydroxamic acid chloride 
• 79887-16-4 1-ethynyl-4-(pentyloxy)benzene 

Downstream Products

• 235114-32-6 micafungin 

Relevant articles and documents

Synthesis method of micafungin side chain intermediate

The invention discloses a synthesis method of a micafungin side chain intermediate. An important side chain intermediate for synthesizing micafungin can be obtained through only three steps, and the steps are simple. Firstly, 4-pentoxyl acetophenone and methyl p-formylbenzoate as initial raw materials are subjected to an aldol condensation reaction under the action of an alkali catalyst cesium carbonate to obtain an intermediate M1; then, the intermediate M1 and N-hydroxyl p-toluenesulfonamide are cyclized under the action of the alkali catalyst cesium carbonate to obtain an intermediate M2; and finally, transesterification reaction is carried out on the intermediate M2 and 1-hydroxybenzotriazole to obtain the high-purity micafungin side chain intermediate shown in the formula M (See the specification). A brand-new synthesis route is provided, and a foundation is laid for preparation of a final product micafungin.

Novel echinocandin antifungals. Part 2: Optimization of the side chain of the natural product FR901379. Discovery of micafungin

Further optimization of the potent antifungal activity of side chain analogs of the natural product FR901379 led to the discovery of compound 8 with an excellent, well-balanced profile. Potent compounds with reduced hemolytic potential were designed based upon a disruption of the linearity of the terphenyl lipophilic side chain. The optimized compound (8, FK463, micafungin) displayed the best balance and was selected as the clinical candidate.

Practical synthesis of FR195752, the side chain of Micafungin, utilizing a regioselective conversion of diaryl-β-diketone to 3,5-diarylisoxazole

The practical synthesis of FR195752, the side chain of Micafungin, was established utilizing a highly regioselective conversion of diaryl-β- diketone to 3,5-diarylisoxazole via the corresponding β-keto enamine intermediate whose disfavored regioisomer could be recycled efficiently after its hydrolysis. In addition, the related substance of FR195752 could be strictly controlled by the purification of its intermediate.

NEW PROCESS

The present invention relates to a process for preparing a pharmaceutical starting compound compound by hydrolyzing a compound of the general formula (II): Wherein R1 is protected carboxy, R2 is lower alkoxy or higher alkoxy, A1