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4-ACETOXYPHENYLBORONIC ACID, with the molecular formula C8H9BO4, is a boronic acid derivative characterized by the presence of a phenyl group and an acetoxy group. This chemical compound is known for its versatile reactivity and stability, making it a valuable component in various scientific and industrial applications.

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  • 177490-82-3 Structure
  • Basic information

    1. Product Name: 4-ACETOXYPHENYLBORONIC ACID
    2. Synonyms: 4-ACETYLOXYPHENYLBORONIC ACID;4-ACETOXYPHENYLBORONIC ACID;4-Acetoxybenzeneboronic acid;4-Acetoxybenzeneboronic acid 98%;4-Boronophenyl acetate;Boronic acid,B-[4-(acetyloxy)phenyl]-;B-[4-(Acetyloxy)Phenyl]-Boronic Acid Boronic Acid,B-[4-(Acetyloxy)Phenyl]-;4-Acetoxybenzeneboronicacid97%
    3. CAS NO:177490-82-3
    4. Molecular Formula: C8H9BO4
    5. Molecular Weight: 179.96566
    6. EINECS: N/A
    7. Product Categories: blocks;BoronicAcids
    8. Mol File: 177490-82-3.mol
  • Chemical Properties

    1. Melting Point: 220-224℃
    2. Boiling Point: 339.9 °C at 760 mmHg
    3. Flash Point: 159.3 °C
    4. Appearance: /
    5. Density: 1.25 g/cm3
    6. Vapor Pressure: 3.46E-05mmHg at 25°C
    7. Refractive Index: 1.532
    8. Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
    9. Solubility: N/A
    10. PKA: 8.42±0.17(Predicted)
    11. CAS DataBase Reference: 4-ACETOXYPHENYLBORONIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-ACETOXYPHENYLBORONIC ACID(177490-82-3)
    13. EPA Substance Registry System: 4-ACETOXYPHENYLBORONIC ACID(177490-82-3)
  • Safety Data

    1. Hazard Codes:  Irritant:;
    2. Statements: 36/37/38
    3. Safety Statements: 26-37-60
    4. WGK Germany:
    5. RTECS:
    6. TSCA: No
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 177490-82-3(Hazardous Substances Data)

177490-82-3 Usage

Uses

Used in Organic Synthesis:
4-ACETOXYPHENYLBORONIC ACID is used as a reagent in organic synthesis for the formation of carbon-carbon and carbon-heteroatom bonds. Its ability to facilitate these bond formations makes it a crucial component in the creation of complex organic molecules.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 4-ACETOXYPHENYLBORONIC ACID is utilized as a reagent in the development of new drugs. Its unique properties allow for the synthesis of novel compounds with potential therapeutic applications.
Used in Medicinal Chemistry:
4-ACETOXYPHENYLBORONIC ACID is employed in medicinal chemistry for the design and synthesis of bioactive molecules. Its reactivity and stability contribute to the discovery of new drug candidates with improved pharmacological properties.
Used in Materials Science:
In the field of materials science, 4-ACETOXYPHENYLBORONIC ACID is used for the development of new materials with specific properties. Its chemical structure allows for the creation of materials with tailored characteristics for various applications.
Used in Catalysis:
4-ACETOXYPHENYLBORONIC ACID is also utilized in catalysis, where it serves as a catalyst or a catalyst precursor in various chemical reactions. Its ability to facilitate reactions under mild conditions makes it a valuable tool in the synthesis of fine chemicals and pharmaceuticals.

Check Digit Verification of cas no

The CAS Registry Mumber 177490-82-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,7,4,9 and 0 respectively; the second part has 2 digits, 8 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 177490-82:
(8*1)+(7*7)+(6*7)+(5*4)+(4*9)+(3*0)+(2*8)+(1*2)=173
173 % 10 = 3
So 177490-82-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H9BO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5,11-12H,1H3

177490-82-3 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • TCI America

  • (A2818)  4-Acetoxyphenylboronic Acid (contains varying amounts of Anhydride)  

  • 177490-82-3

  • 200mg

  • 290.00CNY

  • Detail
  • TCI America

  • (A2818)  4-Acetoxyphenylboronic Acid (contains varying amounts of Anhydride)  

  • 177490-82-3

  • 1g

  • 990.00CNY

  • Detail
  • Alfa Aesar

  • (H52879)  4-Acetoxybenzeneboronic acid, 97%   

  • 177490-82-3

  • 250mg

  • 353.0CNY

  • Detail
  • Alfa Aesar

  • (H52879)  4-Acetoxybenzeneboronic acid, 97%   

  • 177490-82-3

  • 1g

  • 1129.0CNY

  • Detail

177490-82-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name (4-acetyloxyphenyl)boronic acid

1.2 Other means of identification

Product number -
Other names 4-Acetoxybenzeneboronic 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:177490-82-3 SDS

177490-82-3Relevant articles and documents

A process for preparing between neighbour para-substituted hydroxy, thio boric acid

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Paragraph 0022; 0023; 0024, (2017/08/25)

A method of preparing phenylboronic acid ortho- meta- and para-substituted with hydroxy and mercapto is disclosed. The method includes adding a compound of a formula I into an organic solvent, adding 1.2-2.0 eq of acetyl chloride, lowering the temperature of the solution to a temperature between -10 DEG C and 0 DEG C, adding 0.1-0.3 eq of anhydrous aluminium chloride, heating to 20-120 DEG C, stirring for 2-10 h to obtain a compound of a formula II, adding an alkali to adjust pH to be 11-12 after TLC detection proves that the reaction is finished, layering, removing the organic layer, adding hydrochloric acid into the water layer to adjust pH to be 2-3, extracting with ethyl acetate, subjecting the organic layer to rotary drying, and beating the obtained crude product with a mixture of acetone or dichloromethane and n-heptane to obtain a solid product of a formula III, wherein R in the formula I is methyl or tert-butyl, and M in the formula I, M in the formula II and M in the formula III are oxygen simultaneously or sulfur simultaneously. The product produced by the method is high in purity and high in yield.

Small molecule thienopyrimidine-based protein tyrosine kinase inhibitors

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Page/Page column 41, (2010/02/15)

Various thienopyrimidine-based analog compounds are able to selectively inhibit the Src family of tyrosine kinases. These compounds are useful in the treatment of various diseases including hyperproliferative diseases, hematologic diseases, osteoporosis, neurological diseases, autoimmune diseases, allergic/immunological diseases, or viral infections.

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