[3-Chloro-5-(4-morpholinylcarbonyl)phenyl]boronic acid

Basic Information

View in Editor

CAS Number

957120-55-7

Molecular Formula

C11H13BClNO4

Molecular Weight

269.49 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

View in Editor

B(C1=CC(=CC(=C1)Cl)C(=O)N2CCOCC2)(O)O

InChI

InChI=1S/C11H13BClNO4/c13-10-6-8(5-9(7-10)12(16)17)11(15)14-1-3-18-4-2-14/h5-7,16-17H,1-4H2

InChIKey

ZXFMDBGQTVWQQY-UHFFFAOYSA-N

LogP

-0.5078000000000003

Topological Polar Surface Area

70.0 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

299

Synonyms & References

English

MFCD09800860
3-Chloro-5-[(morpholin-4-yl)carbonyl]benzeneboronic acid
A858856
3-Chloro-5-(morpholine-4-carbonyl)phenylboronic acid
(3-Chloro-5-(morpholine-4-carbonyl)phenyl)boronic acid
3-Chloro-5-(morpholin-4-ylcarbonyl)benzeneboronic acid
[3-chloro-5-(morpholine-4-carbonyl)phenyl]boronic acid
SCHEMBL11894194
957120-55-7
AKOS015848922
(3-Chloro-5-(morpholine-4-carbonyl)phenyl)boronicacid
CS-0174417
PS-9398
ZXFMDBGQTVWQQY-UHFFFAOYSA-N
(3-Chloro-5-(morpholine-4-carbonyl)-phenyl)boronic acid
DTXSID50656990
3-CHLORO-5-(MORPHOLIN-4-YLCARBONYL)BENZENEBORONIC ACID

MDL Number

MFCD09800860

Customs Code

2934999090

FAQ

What are the physical and chemical properties of [3-Chloro-5-(4-morpholinylcarbonyl)phenyl]boronic acid (CAS: 957120-55-7)?

[3-Chloro-5-(4-morpholinylcarbonyl)phenyl]boronic acid is a crystalline solid with a molecular weight of approximately 323.28 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and acetonitrile. This compound exhibits moderate reactivity in organic synthesis, particularly in boronate ester formation. It is stable under standard storage conditions but should be protected from strong oxidizing agents and moisture.

How is [3-Chloro-5-(4-morpholinylcarbonyl)phenyl]boronic acid (CAS: 957120-55-7) typically synthesized?

[3-Chloro-5-(4-morpholinylcarbonyl)phenyl]boronic acid is typically synthesized by coupling 3-chlorophenylboronic acid with 4-(carbonyl)-4-morpholinyl boronic acid in the presence of a palladium catalyst (e.g., Pd(PPh3)4) and a base (e.g., potassium carbonate). The reaction is carried out in an organic solvent like toluene or dioxane at elevated temperatures. High selectivity and yields can be achieved under optimized conditions.

What industries use [3-Chloro-5-(4-morpholinylcarbonyl)phenyl]boronic acid (CAS: 957120-55-7)?

[3-Chloro-5-(4-morpholinylcarbonyl)phenyl]boronic acid finds applications in various industries, particularly in pharmaceuticals for the synthesis of drug intermediates. It is also used in the development of sensors and materials for semiconductors. This compound is valuable for its unique chemical properties, making it a key reagent in organic synthesis.

What precautions should be taken when handling [3-Chloro-5-(4-morpholinylcarbonyl)phenyl]boronic acid (CAS: 957120-55-7)?

When handling [3-Chloro-5-(4-morpholinylcarbonyl)phenyl]boronic acid, it is essential to use 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. Spills should be cleaned up using appropriate cleaning agents and waste should be disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for specific handling and disposal instructions.