[3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)phenyl]boronic acid

Basic Information

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CAS Number

380430-68-2

Molecular Formula

C11H16BNO4

Molecular Weight

237.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

168 °C (dec.)

Refractive Index

1.531

SMILES

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

InChI

InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-5-8(7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)

InChIKey

CWLNHPXWZRALFS-UHFFFAOYSA-N

LogP

0.7133999999999998

Topological Polar Surface Area

78.79 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

265

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

3-[(tert-butoxycarbonyl)amino]phenylboronic acid
AB14304
FT-0644550
BCP33013
3-(Boc-amino)phenylboronic Acid
(3-tert-Butoxycarbonylaminophenyl)-boronic acid
SCHEMBL177465
3-(tert-Butoxycarbonylamino)phenyl-boronic acid
(3-BOC-AMINOPHENYL)BORONIC ACID
3-(N-Boc-amino)phenylboronic acid
3-[(tert-Butoxycarbonyl)amino]benzeneboronic acid
EN300-316758
3-BOC-aminophenylboronic acid
CS-W000924
[3-({[(1,1-dimethylethyl)oxy]carbonyl}amino)phenyl]boronic acid
[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic Acid
N-Boc-3-aminophenylboronic Acid
380430-68-2
HY-W000924
(3-Boc-aminophenyl)bronoic acid
[3-(tert-butoxycarbonylamino)phenyl]boronic acid
{3-[(tert-Butoxycarbonyl)amino]phenyl}boronic acid
(3-{[tert-Butoxy(hydroxy)methylidene]amino}phenyl)boronic acid
DTXSID00959004
PD194973
AS-2309
(3-((tert-Butoxycarbonyl)amino)phenyl)boronic acid
AKOS015841458
3-(N-Boc-amino)phenylboronic acid, >=95%
3-(BOC-AMINO)BENZENEBORONIC ACID
3-(N-Boc-amino)phenylboronic acid;3-(tert-Butoxycarbonylamino)phenylboronic acid

MDL Number

MFCD03411945

Customs Code

2931900090

FAQ

What are the physical and chemical properties of (3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)phenyl)boronic acid (CAS: 380430-68-2)?

(3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)phenyl)boronic acid is a white crystalline solid with a molecular weight of approximately 297.34 g/mol. It has a low solubility in water but is more soluble in organic solvents such as methanol and DMSO. This compound exhibits moderate reactivity in esterification and boronate ester formation reactions, making it useful in organic synthesis.

How is (3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)phenyl)boronic acid (CAS: 380430-68-2) typically synthesized?

(3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)phenyl)boronic acid is typically synthesized through the condensation of 2-methyl-2-propanol with 4-aminophenyl boronic acid, followed by carbonylation. The reaction is usually catalyzed by a transition metal catalyst such as palladium or ruthenium, with a yield of about 70-80%.

What industries use (3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)phenyl)boronic acid (CAS: 380430-68-2)?

(3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)phenyl)boronic acid finds applications in the pharmaceutical industry for its use as a precursor in drug synthesis. It is also employed in organic synthesis for boronate ester formation and in some cases, in the development of sensors and semiconductor materials.

What precautions should be taken when handling (3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)phenyl)boronic acid (CAS: 380430-68-2)?

When handling (3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)phenyl)boronic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. It should be stored in a fume hood to prevent inhalation. Spills should be wiped up with absorbent paper and disposed of according to local waste regulations. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.