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3-Benzyloxycarbonylphenylboronic acid is a chemical compound that serves as a versatile building block in organic synthesis. It features a boronic acid functional group, which is instrumental in creating carbon-carbon and carbon-heteroatom bonds in various organic reactions. 3-BENZYLOXYCARBONYLPHENYLBORONIC ACID is particularly notable for its role in the Suzuki-Miyaura coupling reaction, where it contributes the aryl (phenyl) group. The presence of the benzyloxycarbonyl protective group also facilitates selective manipulation of other functional groups within the molecule during the synthesis process. As such, 3-Benzyloxycarbonylphenylboronic acid is recognized as a valuable reagent in organic chemistry, essential for the construction of complex molecular structures.

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  • 380430-52-4 Structure
  • Basic information

    1. Product Name: 3-BENZYLOXYCARBONYLPHENYLBORONIC ACID
    2. Synonyms: 3-(Benzyloxycarbonyl)benzeneboronic acid, 98%;3-BENZYLOXYCARBONYLPHENYLBORONIC ACID;BENZYL 3-BORONOBENZOATE;3-BENZYLOXYCARBONYLPHENYLPHENYLBORONIC ACID;Benzoic acid, 3-borono-, 1-(phenylmethyl) ester (9CI);BENZOIC ACID, 3-BORONO-, 1-(PHENYLMETHYL) ESTER;3-(Benzyloxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride)
    3. CAS NO:380430-52-4
    4. Molecular Formula: C14H13BO4
    5. Molecular Weight: 256.06
    6. EINECS: N/A
    7. Product Categories: BORONICACID;blocks;BoronicAcids;Carboxes;Boronic acids
    8. Mol File: 380430-52-4.mol
  • Chemical Properties

    1. Melting Point: 138-146°C
    2. Boiling Point: 466.2 °C at 760 mmHg
    3. Flash Point: 235.7 °C
    4. Appearance: /
    5. Density: 1.26 g/cm3
    6. Vapor Pressure: 1.72E-09mmHg at 25°C
    7. Refractive Index: 1.596
    8. Storage Temp.: Inert atmosphere,Room Temperature
    9. Solubility: soluble in Methanol
    10. PKA: 7.71±0.10(Predicted)
    11. CAS DataBase Reference: 3-BENZYLOXYCARBONYLPHENYLBORONIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-BENZYLOXYCARBONYLPHENYLBORONIC ACID(380430-52-4)
    13. EPA Substance Registry System: 3-BENZYLOXYCARBONYLPHENYLBORONIC ACID(380430-52-4)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: 36/37/38
    3. Safety Statements: 26-36/37/39
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 380430-52-4(Hazardous Substances Data)

380430-52-4 Usage

Uses

Used in Organic Synthesis:
3-Benzyloxycarbonylphenylboronic acid is used as a building block for constructing complex organic molecules, leveraging its boronic acid functional group to form crucial carbon-carbon and carbon-heteroatom bonds.
Used in the Suzuki-Miyaura Coupling Reaction:
In the field of cross-coupling reactions, 3-Benzyloxycarbonylphenylboronic acid is utilized as a source of the aryl (phenyl) group. Its participation in the Suzuki-Miyaura coupling reaction is pivotal for the formation of carbon-carbon bonds, which are fundamental in creating biaryl compounds.
Used in Selective Functional Group Manipulation:
The benzyloxycarbonyl protective group in 3-Benzyloxycarbonylphenylboronic acid allows chemists to selectively modify other functional groups within a molecule during synthesis. This selective manipulation is crucial for the synthesis of complex organic compounds where the protection and deprotection of functional groups are necessary steps.
Used in Pharmaceutical and Agrochemical Industries:
3-Benzyloxycarbonylphenylboronic acid is employed in the synthesis of pharmaceuticals and agrochemicals, where its ability to form specific bonds and protect functional groups is essential for creating effective and targeted molecules.
Used in Material Science:
In material science, 3-Benzyloxycarbonylphenylboronic acid contributes to the development of new materials with unique properties, such as organic semiconductors and polymers, by enabling the formation of specific molecular structures through its boronic acid functionality.

Check Digit Verification of cas no

The CAS Registry Mumber 380430-52-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,8,0,4,3 and 0 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 380430-52:
(8*3)+(7*8)+(6*0)+(5*4)+(4*3)+(3*0)+(2*5)+(1*2)=124
124 % 10 = 4
So 380430-52-4 is a valid CAS Registry Number.
InChI:InChI=1/C14H13BO4/c16-14(19-10-11-5-2-1-3-6-11)12-7-4-8-13(9-12)15(17)18/h1-9,17-18H,10H2

380430-52-4 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
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  • TCI America

  • (B5172)  3-(Benzyloxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride)  

  • 380430-52-4

  • 1g

  • 1,990.00CNY

  • Detail
  • Alfa Aesar

  • (H53128)  3-(Benzyloxycarbonyl)benzeneboronic acid, 98%   

  • 380430-52-4

  • 250mg

  • 617.0CNY

  • Detail
  • Alfa Aesar

  • (H53128)  3-(Benzyloxycarbonyl)benzeneboronic acid, 98%   

  • 380430-52-4

  • 1g

  • 1975.0CNY

  • Detail

380430-52-4SDS

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 3-Benzyloxycarbonylphenylboronic acid

1.2 Other means of identification

Product number -
Other names 3-(Benzyloxycarbonyl)benzeneboronic 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:380430-52-4 SDS

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