(3,3-Dimethyl-1-butynyl)boronic acid diisopropyl ester

CAS 121021-24-7C12H23BO2Chemical Synthesis

(3,3-Dimethyl-1-butynyl)boronic acid diisopropyl ester (CAS: 121021-24-7) is an organoboron compound with the molecular formula C12H23BO2 and a molecular weight of 210.12 g/mol. This alkynyl boronate ester serves as a valuable substrate in organic synthesis. It is particularly noted for its participation in Dotz annulation reactions, yielding substituted arylboronates suitable for further transformations, such as Suzuki-Miyaura cross-couplings. Its well-defined reactivity makes it a useful building block for complex molecule construction.

IUPAC: (2-tert-Butyl-1-ethynyl)diisopropoxyborane
Synonyms: C12H23BO2(2-tert-Butyl-1-ethynyl)diisopropoxyborane

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(3,3-Dimethyl-1-butynyl)boronic acid diisopropyl ester (C12H23BO2) — chemical structure, CAS 121021-24-7; Chemistry, fine chemical supplied by Tech Serve Solutions

Alkynyl Boronate EstersBoronate EstersChemical SynthesisOrganometallic Reagents

01 /Applications

Suzuki-Miyaura Cross-Coupling Precursor

This compound is an intermediate substrate that can be elaborated into arylboronates. These products are essential partners in Suzuki-Miyaura cross-coupling reactions, enabling the formation of carbon-carbon bonds and the synthesis of biaryl compounds.

Dotz Annulation Substrate

It participates in Dotz annulation processes, a key synthetic transformation. This reaction leads to the formation of substituted arylboronate structures that possess further synthetic utility.

Organometallic Reagent in Synthesis

As an organoboron derivative, it functions as a valuable organometallic reagent. Its structure allows for controlled reactions, contributing to the precise construction of complex organic molecules.

02 /Properties

Molecular weight	210.12
Empirical formula	C12H23BO2
Assay	97%
Boiling point	193-194 °C(lit.)
Density	0.891 g/mL at 25 °C(lit.)
Refractive index	n20/D 1.4160(lit.)
Storage temperature	2-8°C
Application	Substrate that participates in a Dotz annulation process leading to a substituted arylboronate capable of further synthetic elaboration as for example, a Suzuki-Miyarura biaryl cross-coupling.1

03 /Safety & handling

GHS hazard pictogram: Flammable (GHS02) — Flammable

Warning

Hazard statements

H226Flammable liquid and vapour

Protective equipment	Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point	43 °C / 109.4 °F
Transport (UN / ADR)	UN 1993C 3 / PGIII
Water hazard class (WGK, DE)	3
Risk statements (R)	10
Safety statements (S)	16-23-24/25

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry

CAS number

121021-24-7

MDL number

MFCD06411312

05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is (3,3-Dimethyl-1-butynyl)boronic acid diisopropyl ester used for?

(3,3-Dimethyl-1-butynyl)boronic acid diisopropyl ester is used as a substrate in Dotz annulation processes to form arylboronates, which are then useful in Suzuki-Miyaura cross-coupling reactions for further synthetic elaboration.

What is the CAS number and molecular formula for this compound?

The CAS number is 121021-24-7, and the molecular formula is C12H23BO2.

What grade and purity does Tech Serve Solutions supply?

Tech Serve Solutions supplies this compound at an assay of 97%. We do not represent this product as USP, EP, or BP grade.

How should (3,3-Dimethyl-1-butynyl)boronic acid diisopropyl ester be handled safely?

This compound is flammable (H226) and requires careful handling. Recommended personal protective equipment includes eyeshields, faceshields, gloves, and appropriate respiratory protection such as a full-face respirator or multi-purpose combination respirator cartridge. Store at 2-8°C.

Is this chemical controlled or regulated?

The provided data does not indicate that this chemical is a controlled substance.

How is this product shipped and exported?

This product is classified under UN 1993C 3 / PGIII for transport. Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals, and we can discuss shipping and export options for your region.

How can I request a sample or quote?

Please contact our sales team directly through the Tech Serve Solutions website to request a sample or a quotation for (3,3-Dimethyl-1-butynyl)boronic acid diisopropyl ester.