2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Basic Information

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CAS Number

72824-04-5

Molecular Formula

C9H17BO2

Molecular Weight

168.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

35°C/1mmHg

Density

0.896 g/mL at 25 °C

Water Solubility

Not miscible or difficult to mix in water.

Refractive Index

n20/D 1.4268(lit.)

SMILES

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B1(OC(C(O1)(C)C)(C)C)CC=C

InChI

InChI=1S/C9H17BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h6H,1,7H2,2-5H3

InChIKey

YMHIEPNFCBNQQU-UHFFFAOYSA-N

LogP

2.2646000000000006

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

171

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3 Class 3

Sensitiveness

Sensitive to heat and humidity

Synonyms & References

English

Allylboronic acid pinacol ester
SCHEMBL838241
allyl boronic acid pinacol ester
AS-11409
CS-W000963
Allylboronic acid pinacol ester, 97%
Allylboronic acid, pinacol ester
ALLYLBORONIC ACID PIRACOL ESTER
J-519557
2-allyl-4,4,5,5-tetramethyl-1,3,2-dioxa-borolane
Z1203162558
AS-81501
4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane
4,4,5,5-tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane
Allylboronic acid, pinacol cyclic ester
A837633
A936741
2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (stabilized with Phenothiazine)
allyl-boronic acid pinacol ester
72824-04-5
4,4,5,5-tetramethyl-2-prop-2-en-1-yl-1,3,2-dioxaborolane
AKOS000265360
DTXSID70376784
YMHIEPNFCBNQQU-UHFFFAOYSA-N
PINACOLYL 2-PROPENYLBORONATE
AM90123
FT-0622041
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(2-propenyl)-
MFCD00013347
2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
EN300-105979

MDL Number

MFCD00013347

Customs Code

29310095

FAQ

What is 2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 72824-04-5)?

2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is a colorless liquid with a molecular formula of C10H18O2. It is a boron-containing compound with a unique cage-like structure. This compound is used in organic synthesis, particularly in the preparation of boron-containing intermediates and materials.

What are the main uses of 2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 72824-04-5)?

2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is primarily used in organic synthesis as a key reagent in the Sonogashira coupling reaction, a method for coupling aryl halides with terminal alkynes. It is also used in the synthesis of boron-containing materials and pharmaceuticals.

Is 2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 72824-04-5) safe?

2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is generally considered safe when handled with appropriate precautions. It is flammable and should be kept away from heat sources and open flames. Users should wear appropriate personal protective equipment, including gloves, goggles, and a lab coat, and work in a well-ventilated area.

How should 2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 72824-04-5) be stored?

2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane should be stored in a cool, dry, and well-ventilated area away from direct sunlight and heat sources. It should be kept in a closed container, preferably a glass or metal bottle, to prevent exposure to moisture and air. Avoid storing it in plastic containers as they may react with the compound over time.