4,4,5,5-tetramethyl-2-(propan-2-yloxy)-1,3,2-dioxaborolane

Basic Information

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CAS Number

61676-62-8

Molecular Formula

C9H19BO3

Molecular Weight

186.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

80°C/5mmHg

Density

0.912 g/mL at 25 °C

Water Solubility

Soluble in water.

Refractive Index

n20/D 1.409(lit.)

SMILES

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B1(OC(C(O1)(C)C)(C)C)OC(C)C

InChI

InChI=1S/C9H19BO3/c1-7(2)11-10-12-8(3,4)9(5,6)13-10/h7H,1-6H3

InChIKey

MRWWWZLJWNIEEJ-UHFFFAOYSA-N

LogP

2.0003

Topological Polar Surface Area

27.69 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

173

Safety Information

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GHS Hazard Pictograms

H226

H315

H319

H335

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 3 Class 3

Sensitiveness

Moisture Sensitive

Synonyms & References

English

isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
J-521562
CS-D0245
MFCD00192241
4,4,5,5-tetramethyl-2-(propan-2-yloxy)-1,3,2-dioxaborolane
PINBOP
2-isopropoxy-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
C9H19BO3
A833359
2-iso-propoxy-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
2-Methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(Methoxyboronic acid pinacol ester)
2-isopropoxy-4,4,5,5-tetramethyl-[1,3,2]-dioxaborolane
4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxa-borolane
BCP12838
2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(Isopropoxyboronic acid pinacol ester
2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(1-methylethoxy)-
DTXSID20407552
FT-0612702
2-isopropoxy-4,4,5,5-tetramethyl[1,3,2]-dioxaborolane
2-isopropyloxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
isopropoxyboronic acid, pinacol ester
2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 98%
ISOPROPYL DIHYDROGEN BORATE PINACOL ESTER
EN300-123725
SCHEMBL9839
61676-62-8
2-ISOPROPOXY-4,4,5,5-DIMETHYL-1,3,2-DIOXABOROLANE
Isopropoxyboronic acid pinacol ester
2-Isopropoxy-4,4,5,5-tetramethyl[1,3,2]dioxaborolane

MDL Number

MFCD00192241

Customs Code

2934999090

FAQ

What is 4,4,5,5-tetramethyl-2-(propan-2-yloxy)-1,3,2-dioxaborolane (CAS: 61676-62-8)?

4,4,5,5-tetramethyl-2-(propan-2-yloxy)-1,3,2-dioxaborolane (CAS: 61676-62-8) is an organoboron compound commonly used in chemical synthesis. It has the molecular formula C10H22B2O2 and is characterized by its stability and reactivity in boronic ester reactions. This compound is known for its ability to participate in Suzuki and other cross-coupling reactions, making it valuable in the development of pharmaceuticals and fine chemicals.

What are the main uses of 4,4,5,5-tetramethyl-2-(propan-2-yloxy)-1,3,2-dioxaborolane (CAS: 61676-62-8)?

4,4,5,5-tetramethyl-2-(propan-2-yloxy)-1,3,2-dioxaborolane (CAS: 61676-62-8) is primarily used in pharmaceutical research for its role in boronic ester functionalization. It serves as a key intermediate in the synthesis of various bioactive compounds and is also applied in organic synthesis for its stability and reactivity. Additionally, it finds use in the development of agrochemicals and materials science applications.

Is 4,4,5,5-tetramethyl-2-(propan-2-yloxy)-1,3,2-dioxaborolane (CAS: 61676-62-8) safe?

4,4,5,5-tetramethyl-2-(propan-2-yloxy)-1,3,2-dioxaborolane (CAS: 61676-62-8) is generally considered safe when handled properly. It is classified as a low-toxicity compound, but standard safety precautions should be followed, such as using personal protective equipment (PPE) and working in a well-ventilated area. It is important to adhere to established safety guidelines to ensure safe handling and minimize exposure.

How should 4,4,5,5-tetramethyl-2-(propan-2-yloxy)-1,3,2-dioxaborolane (CAS: 61676-62-8) be stored?

4,4,5,5-tetramethyl-2-(propan-2-yloxy)-1,3,2-dioxaborolane (CAS: 61676-62-8) should be stored in a cool, dry, and dark place, away from moisture and heat. It is recommended to keep it in a sealed, airtight container to maintain stability. Proper storage conditions help preserve its chemical integrity and ensure safe handling during storage and use.