4-(Dihydroxyboryl)phenylalanine

Basic Information

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CAS Number

76410-58-7

Molecular Formula

C9H12BNO4

Molecular Weight

209.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

285-293 ºC (dec.)

Boiling Point

449.3 °C at 760 mmHg

Density

1.34±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

225.5 °C

Refractive Index

1.59

SMILES

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

InChI

InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1

InChIKey

NFIVJOSXJDORSP-QMMMGPOBSA-N

LogP

-1.6791999999999994

Topological Polar Surface Area

103.78 Å²

Hydrogen Bond Donor/Acceptor

5 / 5

Complexity

216

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

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-(dihydroxyboryl)phenylalanine
boronophenylalanine
W18622
CHEMBL125582
Q27281677
4-Dihydroxyboryl-L-phenylalanine
Borofalan
J-513654
SCHEMBL204496
4-Borono-L-phenylalanine
DS-6558
4-(2-amino-2-carboxyethyl)benzeneboronic acid
(2S)-2-amino-3-(4-boronophenyl)propanoic acid
7N8
4-Boronophenylalanine
HY-W087830
10B-Bpa
CS-0128618
A838693
(S)-4-boronophenylalanine
JSM63LV5MD
MFCD01075172
L-p-boronophenylalanine
(2S)-2-amino-3-[4-(dihydroxyboranyl)phenyl]propanoic acid
Phenylalanine, 4-borono-
L-para-boronophenylalanine
(s)-(4-boronic acid)-phenylalanine
p-Boronophenylalanine
(s)-4-borono-l-phenylalanine
4-Borono-L-phenylalanine, >=95.0% (HPLC)
NFIVJOSXJDORSP-QMMMGPOBSA-N

MDL Number

MFCD01075172

Customs Code

2931900090

FAQ

What are the physical and chemical properties of 4-(Dihydroxyboryl)phenylalanine (CAS: 76410-58-7)?

4-(Dihydroxyboryl)phenylalanine is a colorless crystalline solid with a molecular weight of approximately 279.14 g/mol. It is soluble in ethanol and chloroform but sparingly soluble in water. This compound exhibits moderate reactivity towards nucleophiles, making it useful in organic synthesis.

How is 4-(Dihydroxyboryl)phenylalanine (CAS: 76410-58-7) typically synthesized?

4-(Dihydroxyboryl)phenylalanine is typically synthesized via a boron-mediated reaction between phenylalanine and boronic acid under mild conditions. The reaction uses catalytic amounts of palladium and a base such as potassium carbonate, yielding the desired product with high selectivity and good yield.

What industries use 4-(Dihydroxyboryl)phenylalanine (CAS: 76410-58-7)?

4-(Dihydroxyboryl)phenylalanine finds applications in the pharmaceutical industry for the synthesis of complex organic molecules, in the polymer industry for developing new materials, and in the sensor industry for creating sensitive chemical detectors.

What precautions should be taken when handling 4-(Dihydroxyboryl)phenylalanine (CAS: 76410-58-7)?

When handling 4-(Dihydroxyboryl)phenylalanine, it is important to use personal protective equipment (PPE) such as gloves and safety goggles. Work should be conducted in a well-ventilated area or fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbents, and the material safety data sheet (MSDS) or safety data sheet (SDS) should be consulted for specific handling instructions.