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TRANS-1-HEXENYLBORONIC ACID PINACOL EST&, with the chemical formula C12H23BO3, is an organic compound that belongs to the class of boronic acid esters. It is a valuable building block in organic synthesis, particularly for cross-coupling reactions, and is widely utilized in the pharmaceutical and agrochemical industries. The pinacol ester group in its structure offers enhanced stability and ease of handling, making it a preferred reagent in both research and industrial applications.

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  • 126688-97-9 Structure
  • Basic information

    1. Product Name: TRANS-1-HEXENYLBORONIC ACID PINACOL EST&
    2. Synonyms: TRANS-1-HEXENYLBORONIC ACID PINACOL EST&;trans-1-Hexen-1-ylboronic acid pinacol ester, 97%;trans-1-Hexenylboronic acid pinacol ester, (E)-2-(1-Hexenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;trans-1-Hexen-1-ylboronic acid pinacol ester 97%
    3. CAS NO:126688-97-9
    4. Molecular Formula: C12H23BO2
    5. Molecular Weight: 210.12
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 126688-97-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 62-65 °C0.5-0.6 mm Hg
    3. Flash Point: 197 °F
    4. Appearance: /
    5. Density: 0.875 g/mL at 25 °C
    6. Vapor Pressure: 0.157mmHg at 25°C
    7. Refractive Index: n20/D 1.443
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: TRANS-1-HEXENYLBORONIC ACID PINACOL EST&(CAS DataBase Reference)
    11. NIST Chemistry Reference: TRANS-1-HEXENYLBORONIC ACID PINACOL EST&(126688-97-9)
    12. EPA Substance Registry System: TRANS-1-HEXENYLBORONIC ACID PINACOL EST&(126688-97-9)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. RIDADR: NA 1993 / PGIII
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 126688-97-9(Hazardous Substances Data)

126688-97-9 Usage

Uses

Used in Pharmaceutical Industry:
TRANS-1-HEXENYLBORONIC ACID PINACOL EST& is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its ability to participate in cross-coupling reactions allows for the creation of complex organic molecules with potential therapeutic properties. The versatility of this compound contributes to the development of new drugs and the improvement of existing ones.
Used in Agrochemical Industry:
In the agrochemical sector, TRANS-1-HEXENYLBORONIC ACID PINACOL EST& serves as a crucial component in the synthesis of pesticides and other agrochemicals. Its reactivity in cross-coupling reactions enables the production of molecules with specific pesticidal activities, contributing to the development of more effective and targeted crop protection agents.
Used in Organic Synthesis Research:
TRANS-1-HEXENYLBORONIC ACID PINACOL EST& is utilized as a reagent in organic chemistry research for exploring new synthetic pathways and developing innovative cross-coupling methodologies. Its stability and ease of handling make it an attractive choice for researchers working on the synthesis of complex organic molecules and the optimization of reaction conditions.
Used in Industrial Production:
In the context of industrial production, TRANS-1-HEXENYLBORONIC ACID PINACOL EST& is employed as a building block for the large-scale synthesis of various organic compounds. Its compatibility with cross-coupling reactions facilitates the efficient production of molecules used in a wide range of applications, from pharmaceuticals to agrochemicals and beyond.

Check Digit Verification of cas no

The CAS Registry Mumber 126688-97-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,6,6,8 and 8 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 126688-97:
(8*1)+(7*2)+(6*6)+(5*6)+(4*8)+(3*8)+(2*9)+(1*7)=169
169 % 10 = 9
So 126688-97-9 is a valid CAS Registry Number.
InChI:InChI=1/C12H23BO2/c1-6-7-8-9-10-13-14-11(2,3)12(4,5)15-13/h9-10H,6-8H2,1-5H3/b10-9+

126688-97-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-hex-1-enyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

1.2 Other means of identification

Product number -
Other names trans-1-hexen-1-ylboronic acid pinacol ester

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:126688-97-9 SDS

126688-97-9Relevant articles and documents

Rhodium- and ruthenium-catalyzed dehydrogenative borylation of vinylarenes with pinacolborane: Stereoselective synthesis of vinylboronates

Murata, Miki,Kawakita, Koji,Asana, Taichi,Watanabe, Shinji,Masuda, Yuzuru

, p. 825 - 829 (2007/10/03)

The treatment of pinacolborane (4,4,5,5-tetramethyl-1,3,2- dioxaborolane) with vinylarenes in the presence of a catalytic amount of phosphine-free di-μ-chlorobis(1,5- cyclooctadiene)dirhodium(I) [RhCl(cod)]2, through dehydrogenative borylation, provides the corresponding regio- and stereodefined (E)-2-arylethenylboronates in high yields. Also, a ruthenium complex prepared in situ from (1,5-cyclooctadiene)(1,3,5-cyclooctatriene)ruthenium(O) [Ru(cod)(cot)] and P(4CF3C6H4)3 showed considerable catalytic activity for dehydrogenative borylation.

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