(4-(tert-Butoxycarbonyl)phenyl)boronic acid

Basic Information

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CAS Number

850568-54-6

Molecular Formula

C11H15BO4

Molecular Weight

222.05 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

100-106°C

Boiling Point

364.3℃ at 760 mmHg

Density

1.15

Water Solubility

Slightly soluble in water.

Flash Point

174.1 ºC

Refractive Index

1.517

SMILES

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B(C1=CC=C(C=C1)C(=O)OC(C)(C)C)(O)O

InChI

InChI=1S/C11H15BO4/c1-11(2,3)16-10(13)8-4-6-9(7-5-8)12(14)15/h4-7,14-15H,1-3H3

InChIKey

QMVMDYSTJSUDKC-UHFFFAOYSA-N

LogP

0.32169999999999993

Topological Polar Surface Area

66.76 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

239

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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 IRRITANT Class IRRITANT

Synonyms & References

English

(4-(tert-Butoxycarbonyl)phenyl)boronic acid
Benzoicacid, 4-borono-, 1-(1,1-dimethylethyl) ester (9CI)
4-(tert-Butoxycarbonyl)benzeneboronic acid
4-(Tert-Butoxycarbonyl)Phenylboronic Acid
4-(tert-Butoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride)
[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid
4-(t-Butoxycarbonyl)phenylboronic acid
4-t-Butoxycarbonylphenylboronic acid
Benzoic acid,4-borono-, 1,1-dimethylethyl ester
4-(tert-Butoxycarbonyl)benzeneboronic Acid (contains varying amounts of Anhydride)
tert-Butyl 4-boronobenzoate
4-Boc-phenylboronic Acid
4-tert-butoxycarbonylphenylboronic acid
[4-(tert-butoxycarbonyl)phenyl]boronic acid
4-(t-Butoxycarbonyl)phenylboronicacid
zlchem 779
4-Boc-phenylboronicAcid
{4-[(tert-butoxy
EN300-7372409
AKOS005257924
4-(tert-butoxycarbonyl)phenyl-boronic acid
CS-W013124
QMVMDYSTJSUDKC-UHFFFAOYSA-N
DB-006557
4-t-butyloxycarbonylphenylboronic acid
Z1741979576
BBL101286
850568-54-6
{4-[(tert-butoxy)carbonyl]phenyl}boronic acid
4-(tert-butoxycarbonyl)benzene boronic acid
4-(TERT-BUTOXYCARBONYL)BENZENEBORONIC ACID

MDL Number

MFCD03411946

Customs Code

2931900090

FAQ

What are the physical and chemical properties of (4-(tert-Butoxycarbonyl)phenyl)boronic acid (CAS: 850568-54-6)?

(4-(tert-Butoxycarbonyl)phenyl)boronic acid is a white to off-white crystalline solid with a molecular weight of approximately 340.47 g/mol. It is slightly soluble in water and more soluble in organic solvents like methanol and ethanol. This compound is known for its reactivity in boronate ester formation and its ability to participate in Suzuki coupling reactions.

How is (4-(tert-Butoxycarbonyl)phenyl)boronic acid (CAS: 850568-54-6) typically synthesized?

(4-(tert-Butoxycarbonyl)phenyl)boronic acid is usually synthesized from tert-butoxycarbonyl phenyl boronic acid via a boronic acid protection step using tert-butoxycarbonyl chloride. The reaction is typically performed at room temperature in the presence of a base like triethylamine in a solvent such as dichloromethane or tetrahydrofuran. The purity and yield can be optimized by adjusting the reaction conditions and using appropriate purification techniques.

What industries use (4-(tert-Butoxycarbonyl)phenyl)boronic acid (CAS: 850568-54-6)?

(4-(tert-Butoxycarbonyl)phenyl)boronic acid is primarily used in the pharmaceutical and polymer industries. It plays a crucial role in the synthesis of various drugs and polymers due to its reactivity in coupling reactions. Additionally, it is used in the development of sensors and semiconductors for its unique chemical properties.

What precautions should be taken when handling (4-(tert-Butoxycarbonyl)phenyl)boronic acid (CAS: 850568-54-6)?

When handling (4-(tert-Butoxycarbonyl)phenyl)boronic acid, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for specific handling and storage guidelines.