Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Basic Information

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CAS Number

850568-72-8

Molecular Formula

C17H25BO4

Molecular Weight

304.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

No data available

Melting Point

128-132

Boiling Point

389.1℃ at 760 mmHg

Density

1.04

Flash Point

189.1±23.2 °C

Refractive Index

1.517

SMILES

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B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H25BO4/c1-15(2,3)20-14(19)12-8-10-13(11-9-12)18-21-16(4,5)17(6,7)22-18/h8-11H,1-7H3

InChIKey

GNXLDEFJAZGNCJ-UHFFFAOYSA-N

LogP

2.9411000000000014

Topological Polar Surface Area

44.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

401

Safety Information

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Hazard Statement

Synonyms & References

English

tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
4-(tert-Butoxycarbonyl)benzeneboronic acid pinacol ester
4-(tert-Butoxycarbonyl)phenylboronic acid pinacol ester
Benzoic acid,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
NULL
BM559
OR4118
4-Boc-phenylboronic Acid Pinacol Ester
2-(4-tert-Butoxycarbonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid tert-Butyl Ester
4-(TERT-BUTOXYCARBONYL)PHENYLBORONIC ACID, PINACOL ESTER
4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid tert-butyl ester
4-(tert-Butoxycarbonyl)phenylboronic acid, pinacol ester, AldrichCPR
GNXLDEFJAZGNCJ-UH
4-(tert-Butoxycarbonyl)phenylboronic Acid Pinacol Ester
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
SCHEMBL900346
4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-Benzoic Acid 1,1-Dimethylethyl Ester
Z1741981029
Tert-butyl4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
SY056873
4-(Boc-)-phenylboronic acid
tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
DTXSID20402582
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid tert-butyl ester
DS-16076
BCP11508
850568-72-8
4-Tert-butoxycarbonylphenylboronic acid pinacol ester
(4-(TERT-BUTOXYCARBONYL)PHENYL)BORONIC ACID PINACOL ESTER

MDL Number

MFCD03453055

Customs Code

2934999090

FAQ

What is Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (CAS: 850568-72-8)?

Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is an organic compound with a unique structure that includes a tert-butyl group, a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl group, and a benzoate moiety. It is used as a synthetic intermediate in organic synthesis and has potential applications in pharmaceuticals and materials science.

What are the main uses of Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (CAS: 850568-72-8)?

Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is primarily used as a reagent in organic synthesis, particularly for its boron-containing functionality. It finds applications in pharmaceuticals for producing complex molecules, in chemical research for developing new materials, and in academia for educational purposes.

Is Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (CAS: 850568-72-8) safe?

Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is considered safe under normal handling conditions. However, proper protective measures should be taken, including wearing appropriate personal protective equipment (PPE) such as gloves and goggles. It is important to avoid inhalation and contact with skin and eyes.

How should Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (CAS: 850568-72-8) be stored?

Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly closed container to prevent moisture absorption. The storage area should be well-ventilated to ensure safety and prevent any chemical reactions or degradation.