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4-(PYRROLIDINE-1-CARBONYL)PHENYLBORONIC ACID is a specialized chemical compound that features a boronic acid functional group, a phenyl group (an aromatic ring), and a pyrrolidine group, which is a compound containing a five-membered ring. It is known for its applications in various scientific and industrial areas, particularly in chemical synthesis where its boronic acid functionality allows for selective reactions.

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  • 389621-81-2 Structure
  • Basic information

    1. Product Name: 4-(PYRROLIDINE-1-CARBONYL)PHENYLBORONIC ACID
    2. Synonyms: 4-(1-PYRROLIDINYLCARBONYL)PHENYLBORONIC ACID;4-PYRROLIDINYLCARBONYLPHENYLBORONIC ACID;4-(PYRROLIDINE-1-CARBONYL)BENZENEBORONIC ACID;4-(PYRROLIDINE-1-CARBONYL)PHENYLBORONIC ACID;N-PYRROLIDINYL 4-BORONOBENZAMIDE;Boronic acid, [4-(1-pyrrolidinylcarbonyl)phenyl]- (9CI);(4-boronophenyl)(pyrrolidin-1-yl)methanone;1-(4-Boronobenzoyl)pyrrolidine
    3. CAS NO:389621-81-2
    4. Molecular Formula: C11H14BNO3
    5. Molecular Weight: 219.04
    6. EINECS: N/A
    7. Product Categories: BORONICACID;blocks;BoronicAcids;Boronic acids;Aryl;Organoborons;Boronate Ester;Boronic Acid;Potassium Trifluoroborate
    8. Mol File: 389621-81-2.mol
  • Chemical Properties

    1. Melting Point: 136-140°C
    2. Boiling Point: 446.949 °C at 760 mmHg
    3. Flash Point: 224.107 °C
    4. Appearance: /
    5. Density: 1.26
    6. Vapor Pressure: 9E-09mmHg at 25°C
    7. Refractive Index: 1.586
    8. Storage Temp.: 2-8°C
    9. Solubility: soluble in Methanol
    10. PKA: 8.18±0.16(Predicted)
    11. CAS DataBase Reference: 4-(PYRROLIDINE-1-CARBONYL)PHENYLBORONIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-(PYRROLIDINE-1-CARBONYL)PHENYLBORONIC ACID(389621-81-2)
    13. EPA Substance Registry System: 4-(PYRROLIDINE-1-CARBONYL)PHENYLBORONIC ACID(389621-81-2)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38-36
    3. Safety Statements: 26-36/37/39
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 389621-81-2(Hazardous Substances Data)

389621-81-2 Usage

Uses

Used in Medicinal Chemistry:
4-(PYRROLIDINE-1-CARBONYL)PHENYLBORONIC ACID is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its boronic acid functionality enables selective reactions that are crucial for the development of new drugs.
Used in Organic Synthesis:
In the field of organic synthesis, 4-(PYRROLIDINE-1-CARBONYL)PHENYLBORONIC ACID is used as a building block for the creation of complex organic molecules. Its reactivity and selectivity make it a valuable component in the synthesis of a wide range of organic compounds.
Used in Suzuki-Miyaura Cross-Coupling Reactions:
4-(PYRROLIDINE-1-CARBONYL)PHENYLBORONIC ACID is employed as a reactant in the Suzuki-Miyaura cross-coupling reactions, which are widely used in the formation of carbon-carbon bonds. This reaction is particularly important in the synthesis of biologically active molecules and materials with potential applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 389621-81-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,8,9,6,2 and 1 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 389621-81:
(8*3)+(7*8)+(6*9)+(5*6)+(4*2)+(3*1)+(2*8)+(1*1)=192
192 % 10 = 2
So 389621-81-2 is a valid CAS Registry Number.
InChI:InChI=1/C11H14BNO3/c14-11(13-7-1-2-8-13)9-3-5-10(6-4-9)12(15)16/h3-6,15-16H,1-2,7-8H2

389621-81-2 Well-known Company Product Price

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  • (Code)Product description
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  • TCI America

  • (P2105)  4-[(1-Pyrrolidinyl)carbonyl]phenylboronic Acid (contains varying amounts of Anhydride)  

  • 389621-81-2

  • 1g

  • 880.00CNY

  • Detail
  • TCI America

  • (P2105)  4-[(1-Pyrrolidinyl)carbonyl]phenylboronic Acid (contains varying amounts of Anhydride)  

  • 389621-81-2

  • 5g

  • 3,150.00CNY

  • Detail
  • Alfa Aesar

  • (H53186)  4-(1-Pyrrolidinylcarbonyl)benzeneboronic acid, 96%   

  • 389621-81-2

  • 1g

  • 907.0CNY

  • Detail
  • Alfa Aesar

  • (H53186)  4-(1-Pyrrolidinylcarbonyl)benzeneboronic acid, 96%   

  • 389621-81-2

  • 5g

  • 3631.0CNY

  • Detail

389621-81-2SDS

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-Pyrrolidinylcarbonylphenylboronic acid

1.2 Other means of identification

Product number -
Other names (4-(Pyrrolidine-1-carbonyl)phenyl)boronic 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:389621-81-2 SDS

389621-81-2Downstream Products

389621-81-2Relevant articles and documents

Sequential one-pot access to molecular diversity through aniline aqueous borylation

Erb, William,Albini, Mathieu,Rouden, Jacques,Blanchet, Jrme

, p. 10568 - 10580 (2014)

On the basis of our recently reported aniline aqueous borylation, molecular diversity was achieved in a one-pot process by combining other reactions such as esterification, Suzuki-Miyaura coupling, hydrogenolysis, or Petasis borono-Mannich.

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