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4-Pentylbenzeneboronic acid is an organic compound that serves as a versatile intermediate in various chemical reactions and synthesis processes. It is characterized by its white solid appearance and is commonly used in the synthesis of liquid crystals, aryl coupling reactions, and the production of Cannabinol (C175350).

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  • 121219-12-3 Structure
  • Basic information

    1. Product Name: 4-Pentylbenzeneboronic acid
    2. Synonyms: P-PENTYLPHENYLBORONIC ACID;4-N-PENTYLBENZENEBORONIC ACID;4-N-PENTYLPHENYLBORONIC ACID;4-PENTYLBENZENEBORONIC ACID;AKOS BRN-0130;4-n-Amylbenzeneboronic acid~4-n-Pentylphenylboronic acid;4-N-Pentylphenylboronic;4-n-amylbenzeneboronic acid
    3. CAS NO:121219-12-3
    4. Molecular Formula: C11H17BO2
    5. Molecular Weight: 192.06
    6. EINECS: N/A
    7. Product Categories: Boronic acids;Boronic acid;Liquid crystal intermediates
    8. Mol File: 121219-12-3.mol
  • Chemical Properties

    1. Melting Point: 82-84°C
    2. Boiling Point: 328 °C at 760 mmHg
    3. Flash Point: 152.2 °C
    4. Appearance: tan powder
    5. Density: 1.01 g/cm3
    6. Vapor Pressure: 7.85E-05mmHg at 25°C
    7. Refractive Index: 1.509
    8. Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 8.87±0.10(Predicted)
    11. BRN: 4782754
    12. CAS DataBase Reference: 4-Pentylbenzeneboronic acid(CAS DataBase Reference)
    13. NIST Chemistry Reference: 4-Pentylbenzeneboronic acid(121219-12-3)
    14. EPA Substance Registry System: 4-Pentylbenzeneboronic acid(121219-12-3)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 121219-12-3(Hazardous Substances Data)

121219-12-3 Usage

Uses

Used in Organic Synthesis:
4-Pentylbenzeneboronic acid is used as an intermediate in the synthesis of liquid crystals, which are essential components in the development of advanced display technologies and other applications requiring precise control over molecular orientation.
Used in Aryl Coupling Reactions:
4-Pentylbenzeneboronic acid is utilized as a reactant in aryl coupling reactions, specifically in the presence of palladium catalysts, to form new carbon-carbon bonds and create a variety of organic molecules with potential applications in pharmaceuticals, materials science, and other fields.
Used in the Suzuki Reaction:
4-Pentylbenzeneboronic acid is employed as a boronic acid component in the Suzuki reaction, a widely used cross-coupling process for the formation of carbon-carbon bonds. This reaction is particularly valuable for the synthesis of complex organic molecules and the development of new pharmaceuticals and materials.
Used in Cannabinol (C175350) Synthesis:
As a key intermediate, 4-Pentylbenzeneboronic acid is used in the synthesis of Cannabinol (C175350), a compound with potential therapeutic applications. Its involvement in this process highlights the compound's importance in the development of novel pharmaceutical agents.

Check Digit Verification of cas no

The CAS Registry Mumber 121219-12-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,1,2,1 and 9 respectively; the second part has 2 digits, 1 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 121219-12:
(8*1)+(7*2)+(6*1)+(5*2)+(4*1)+(3*9)+(2*1)+(1*2)=73
73 % 10 = 3
So 121219-12-3 is a valid CAS Registry Number.
InChI:InChI=1/C11H17BO2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9,13-14H,2-5H2,1H3

121219-12-3 Well-known Company Product Price

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  • (Code)Product description
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  • Packaging
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  • TCI America

  • (A2336)  4-Amylphenylboronic Acid (contains varying amounts of Anhydride)  

  • 121219-12-3

  • 5g

  • 890.00CNY

  • Detail
  • Alfa Aesar

  • (L18011)  4-n-Pentylbenzeneboronic acid, 97%   

  • 121219-12-3

  • 250mg

  • 446.0CNY

  • Detail
  • Alfa Aesar

  • (L18011)  4-n-Pentylbenzeneboronic acid, 97%   

  • 121219-12-3

  • 1g

  • 1343.0CNY

  • Detail
  • Alfa Aesar

  • (L18011)  4-n-Pentylbenzeneboronic acid, 97%   

  • 121219-12-3

  • 5g

  • 5195.0CNY

  • Detail

121219-12-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Pentylbenzeneboronic acid

1.2 Other means of identification

Product number -
Other names 4-Pentylbenzeneboronic 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:121219-12-3 SDS

121219-12-3Relevant 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 (2015/01/08)

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.

Design and synthesis of boronic acid inhibitors of endothelial lipase

O'Connell, Daniel P.,Leblanc, Daniel F.,Cromley, Debra,Billheimer, Jeffrey,Rader, Daniel J.,Bachovchin, William W.

, p. 1397 - 1401 (2012/03/26)

Endothelial lipase (EL) and lipoprotein lipase (LPL) are homologous lipases that act on plasma lipoproteins. EL is predominantly a phospholipase and appears to be a key regulator of plasma HDL-C. LPL is mainly a triglyceride lipase regulating (V)LDL levels. The existing biological data indicate that inhibitors selective for EL over LPL should have anti-atherogenic activity, mainly through increasing plasma HDL-C levels. We report here the synthesis of alkyl, aryl, or acyl-substituted phenylboronic acids that inhibit EL. Many of the inhibitors evaluated proved to be nearly equally potent against both EL and LPL, but several exhibited moderate to good selectivity for EL.

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