Baricitinib Impurity 10

Basic Information

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CAS Number

1029716-44-6

Molecular Formula

C13H23BN2O3

Molecular Weight

266.15 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

SMILES

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CCOC(n1ncc(c1)B1OC(C(O1)(C)C)(C)C)C

InChI

InChI=1S/C13H23BN2O3/c1-7-17-10(2)16-9-11(8-15-16)14-18-12(3,4)13(5,6)19-14/h8-10H,7H2,1-6H3

InChIKey

IZKVGEWCELXYRI-UHFFFAOYSA-N

LogP

1.7372999999999992

Topological Polar Surface Area

45.510000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

309

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-(1-Ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
1H-pyrazole, 1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
1-(1-Ethoxyethyl)-1H-pyrazole-4-boronic acid pinacol ester
1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-1H-pyrazole
AC1Q35EG
AG-A-11451
ANW-45477
CTK6F9932
PubChem18870
QC-4756
SureCN872483
1-(1-Ethoxyethyl)
(1-(1-ethoxyethyl)-1H-pyrazol-4-yl)boronic acid
1-(1-EthoxyEthyl)-Pyrazole- 4-Boronic acid Pinacolate
(1-(1-ETHOXYETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER
1-(1-ethoxyethyl)-4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
IZKVGEWCELXYRI-UHFFFAOYSA-N
BCP22043
CE0120
TRA0006078
SB12197
AM802855
SY045931
1-(1-ethoxyethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyrazole
1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
1H-Pyrazole, 1-(1-ethoxyethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-
1-(1-ethoxyethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

MDL Number

MFCD11857753

FAQ

What are the physical and chemical properties of Baricitinib Impurity 10 (CAS: 1029716-44-6)?

Baricitinib Impurity 10 is a crystalline compound with a molecular weight of approximately 375.37 g/mol. It is poorly water-soluble, with a solubility of about 0.01 g/L. Physically, it appears as a white to off-white solid. Chemically, it is reactive towards strong acids and bases. It is stable under normal storage conditions but requires protection from moisture and light to maintain its purity.

How is Baricitinib Impurity 10 (CAS: 1029716-44-6) typically synthesized?

Baricitinib Impurity 10 is typically synthesized through a multi-step process involving organic transformations such as Friedel-Crafts alkylation and selective hydrogenation. The synthesis involves the use of catalytic systems and careful temperature control to achieve high selectivity and yield. The process is optimized to minimize the formation of this impurity.

What industries use Baricitinib Impurity 10 (CAS: 1029716-44-6)?

Baricitinib Impurity 10 (CAS: 1029716-44-6) is primarily used in the pharmaceutical industry, specifically in the development and quality control of baricitinib, a JAK inhibitor used in the treatment of rheumatoid arthritis. It is also of interest in research settings for its pharmacological properties.

What precautions should be taken when handling Baricitinib Impurity 10 (CAS: 1029716-44-6)?

When handling Baricitinib Impurity 10 (CAS: 1029716-44-6), it is important to use personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling instructions and emergency procedures.