(2-Methoxy-5-pyrimidinyl)boronic acid

Basic Information

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CAS Number

628692-15-9

Molecular Formula

C5H7BN2O3

Molecular Weight

153.93 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

No data available

Melting Point

161°C

Boiling Point

378.3°C at 760 mmHg

Density

1.33

Flash Point

182.6℃

Refractive Index

1.523

SMILES

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B(C1=CN=C(N=C1)OC)(O)O

InChI

InChI=1S/C5H7BN2O3/c1-11-5-7-2-4(3-8-5)6(9)10/h2-3,9-10H,1H3

InChIKey

YPWAJLGHACDYQS-UHFFFAOYSA-N

LogP

-1.8350000000000002

Topological Polar Surface Area

75.47000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

116

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-methoxypyrimidin-5-yl-boronic acid
2-Methoxypyrimidine-5-boronic acid
2-Methoxy-5-pyrimidylboronic Acid
AC-6996
2-methoxypyrimidin-5-ylboronic acid;2-Methoxypyrimidine-5-boronic Acid
J-500843
(2-methoxypyrimidin-5-yl)boronic Acid
AM20100542
SCHEMBL9497
CS-W004698
(2-methoxy pyrimidin-5-yl)boronic acid
FT-0650057
Z1201622058
2-methoxy-pyrimidin-5-yl-boronic acid
A8682
2-methoxypyrimidine-5-yl boronic acid
AKOS006228038
2-Methoxy-5-pyrimidine boronic acid
2-Methoxy-pyrimidine-5-boronic acid
2-Methoxy-5-pyrimidineboronic acid
DTXSID70371597
SY007598
HY-W004698
2-methoxypyrimidin-5-yl boronic acid
2-methoxypyrimidin-5-ylboronic acid
2-methoxy-5-pyrimidine-boronic acid
(2-methoxypyrimidin-5-yl)boronicAcid
STR09909
2-Methoxy-5-pyrimidinylboronic Acid
[2-(methyloxy)-5-pyrimidinyl]boronic acid
C5H7BN2O3

MDL Number

MFCD03094664

Customs Code

2933599090

FAQ

What are the physical and chemical properties of (2-Methoxy-5-pyrimidinyl)boronic acid (CAS: 628692-15-9)?

(2-Methoxy-5-pyrimidinyl)boronic acid is a white or off-white crystalline solid with a molecular weight of approximately 213.14 g/mol. It is slightly soluble in water and ethanol. This compound is known for its reactivity in organoboron coupling reactions and is typically stable under normal storage conditions. Its physical properties make it suitable for use in organic synthesis and pharmaceutical applications.

How is (2-Methoxy-5-pyrimidinyl)boronic acid (CAS: 628692-15-9) typically synthesized?

(2-Methoxy-5-pyrimidinyl)boronic acid is commonly synthesized via the reaction of 2-methoxy-5-pyrimidone with triphenylphosphine borate. This process involves the use of a catalyst such as tetrakis(triphenylphosphine)palladium(0) and a base like triethylamine. The reaction is carried out under mild conditions, and the yield can be up to 80%. This synthetic method provides a reliable route to this compound for various applications.

What industries use (2-Methoxy-5-pyrimidinyl)boronic acid (CAS: 628692-15-9)?

(2-Methoxy-5-pyrimidinyl)boronic acid finds use in the pharmaceutical industry for the synthesis of biologically active compounds. It also plays a role in polymer synthesis and the development of sensors. Additionally, this compound is utilized in the semiconductor industry for its electronic properties. Its versatility makes it a valuable intermediate in various chemical processes.

What precautions should be taken when handling (2-Methoxy-5-pyrimidinyl)boronic acid (CAS: 628692-15-9)?

When handling (2-Methoxy-5-pyrimidinyl)boronic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials. Keep the compound away from heat sources and ensure proper storage in a cool, dry place. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.