2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CAS No.:
1003845-08-6
M. Wt:
240.49400
M. Fa:
C10H14BClN2O2
InChI Key:
VLAPDEKXZLRRKV-UHFFFAOYSA-N
Appearance:
Yellow Solid
Names and Identifiers of 1003845-08-6
CAS Number |
1003845-08-6 |
|---|---|
EC Number |
688-416-4 |
MDL Number |
MFCD11856048 |
IUPAC Name |
2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine |
InChI |
InChI=1S/C10H14BClN2O2/c1-9(2)10(3,4)16-11(15-9)7-5-13-8(12)14-6-7/h5-6H,1-4H3 |
InChIKey |
VLAPDEKXZLRRKV-UHFFFAOYSA-N |
Canonical SMILES |
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)Cl |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1003845-08-6
Acidity coefficient |
-1.68±0.22(Predicted) |
|---|---|
Appearance of Characters |
Solid |
Boiling Point |
369.1±15.0 °C(Predicted) |
Density |
1.19±0.1 g/cm3 (20 ºC 760 Torr) |
Exact Mass |
240.08400 |
LogP |
1.42920 |
Melting Point |
65.0 to 69.0 °C |
Molecular Formula |
C10H14BClN2O2 |
Molecular Weight |
240.49400 |
PSA |
44.24000 |
Storage condition |
Refrigerated. |
Safety Information of 1003845-08-6
Applications of 1003845-08-6
2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine finds applications in:
- Pharmaceutical Chemistry: As an intermediate in the synthesis of biologically active compounds.
- Material Science: In the development of organic semiconductors and polymers due to its unique electronic properties.
- Chemical Biology: As a tool for studying biological processes involving boron-containing compounds.
Interaction Studies of 1003845-08-6
Interaction studies involving this compound often focus on its reactivity with nucleophiles and electrophiles. The presence of both a boronic acid moiety and a halogen enhances its potential as a versatile building block in medicinal chemistry. Studies may also explore its interactions with biological targets such as enzymes or receptors relevant to drug discovery.
Physical sample testing spectrum (NMR) of 1003845-08-6
Cas:76-09-5
Cas:1003845-06-4
