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Isoxazol-4-ylboronic acid, also known as 4-Isoxazolylboronic acid, is a specialized chemical compound with the molecular formula C4H5BO3. It belongs to the category of boronic acids and is commonly used in scientific research, particularly in the field of medicinal and organic chemistry for the synthesis of complex molecules. This chemical is typically available in a fine crystalline powder form, which is beige or off-white in color. Due to its hazardous nature, handling or exposure to Isoxazol-4-ylboronic acid should be conducted with caution, as it can cause eye and skin irritation.

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  • 1008139-25-0 Structure
  • Basic information

    1. Product Name: ISOXAZOL-4-YLBORONIC ACID
    2. Synonyms: ISOXAZOL-4-YLBORONIC ACID
    3. CAS NO:1008139-25-0
    4. Molecular Formula: C3H4BNO3
    5. Molecular Weight: 112.88
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1008139-25-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
    8. Solubility: N/A
    9. CAS DataBase Reference: ISOXAZOL-4-YLBORONIC ACID(CAS DataBase Reference)
    10. NIST Chemistry Reference: ISOXAZOL-4-YLBORONIC ACID(1008139-25-0)
    11. EPA Substance Registry System: ISOXAZOL-4-YLBORONIC ACID(1008139-25-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: 36
    3. Safety Statements: 26
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1008139-25-0(Hazardous Substances Data)

1008139-25-0 Usage

Uses

Used in Medicinal Chemistry:
Isoxazol-4-ylboronic acid is used as a synthetic intermediate for the development of pharmaceutical compounds. Its unique structure allows for the creation of complex molecules that can be utilized in the design of new drugs and therapeutic agents.
Used in Organic Chemistry:
In the field of organic chemistry, Isoxazol-4-ylboronic acid is employed as a reagent in various chemical reactions. Its boronic acid functionality enables it to participate in reactions such as the Suzuki-Miyaura cross-coupling, which is a widely used method for the formation of carbon-carbon bonds. This makes it a valuable tool for the synthesis of complex organic molecules and the development of novel chemical structures.
Used in Scientific Research:
Isoxazol-4-ylboronic acid is used as a research chemical in academic and industrial laboratories. Its properties and reactivity are studied to gain insights into the behavior of boronic acids and their potential applications in various fields, including materials science, catalysis, and chemical biology.

Check Digit Verification of cas no

The CAS Registry Mumber 1008139-25-0 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,0,8,1,3 and 9 respectively; the second part has 2 digits, 2 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 1008139-25:
(9*1)+(8*0)+(7*0)+(6*8)+(5*1)+(4*3)+(3*9)+(2*2)+(1*5)=110
110 % 10 = 0
So 1008139-25-0 is a valid CAS Registry Number.

1008139-25-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name Isoxazole-4-boronic acid

1.2 Other means of identification

Product number -
Other names 1,2-oxazol-4-ylboronic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1008139-25-0 SDS

1008139-25-0Relevant articles and documents

Generation of an 4-Isoxazolyl Anion Species: Facile Access to Multifunctionalized Isoxazoles

Morita, Taiki,Fuse, Shinichiro,Nakamura, Hiroyuki

supporting information, p. 13580 - 13584 (2016/10/21)

A direct functionalization of unsubstituted isoxazole (1) was achieved by generation of 4-isoxazolyl anion species (3). An efficient 4-iodination of isoxazole and halogen–metal exchange reaction using a turbo Grignard reagent (iPrMgCl? LiCl) were essentia

Palladium-catalyzed cyanomethylation of aryl halides through domino Suzuki coupling-isoxazole fragmentation

Velcicky, Juraj,Soicke, Arne,Steiner, Roland,Schmalz, Hans-Guenther

supporting information; experimental part, p. 6948 - 6951 (2011/06/19)

A one-pot protocol for the cyanomethylation of aryl halides through a palladium-catalyzed reaction with isoxazole-4-boronic acid pinacol ester was developed. Mechanistically, the reaction proceeds through (1) Suzuki coupling, (2) base-induced fragmentation, and (3) deformylation as shown by characterization of all postulated intermediates. Under optimized conditions (PdCl2dppf, KF, DMSO/H2O, 130 °C) a broad spectrum of aryl bromides could be converted into arylacetonitriles with up to 88% yield.

ORGANIC COMPOUNDS

-

Page/Page column 144-145, (2009/09/04)

Compounds of formula (I) in free or salt or solvate form, where T1, T2, X, Ra, Rb, R8 and R9 have the meanings as indicated in the specification, are useful for treating inflammatory or obstructive airways, pulmonary hypertension, pulmonary fibrosis, liver fibrosis, muscle diseases and systemic skeletal disorders. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.

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