N-Boc Palbociclib

Basic Information

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CAS Number

1651214-74-2

Molecular Formula

C29H37N7O4

Molecular Weight

547.66 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N4CCN(CC4)C(=O)OC(C)(C)C)nc2n(C5CCCC5)c1=O

InChI

InChI=1S/C29H37N7O4/c1-18-22-17-31-27(33-25(22)36(20-8-6-7-9-20)26(38)24(18)19(2)37)32-23-11-10-21(16-30-23)34-12-14-35(15-13-34)28(39)40-29(3,4)5/h10-11,16-17,20H,6-9,12-15H2,1-5H3,(H,30,31,32,33)

InChIKey

QVJKVBFRYVEWGO-UHFFFAOYSA-N

LogP

4.613320000000004

Topological Polar Surface Area

122.55000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 11

Complexity

997

Synonyms & References

English

Pabociclib impurityB
Tert-butyl 4-(6-((6-acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylate
Tert-butyl 4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-y
N-Boc Palbociclib
4-[6-[(6-acetyl-8-cyclopentyl-7,8-dihydro-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]- 1-Piperazinecarboxylic acid 1,1-dimethylethyl ester

MDL Number

MFCD28359363

FAQ

What are the physical and chemical properties of N-Boc Palbociclib (CAS: 1651214-74-2)?

N-Boc Palbociclib is a crystalline compound with a molecular weight of approximately 555.7 g/mol. It is sparingly soluble in water but soluble in organic solvents like methanol and DMSO. The compound shows good stability under normal conditions but is sensitive to strong bases and acids. CAS: 1651214-74-2

How is N-Boc Palbociclib (CAS: 1651214-74-2) typically synthesized?

N-Boc Palbociclib is synthesized through a multistep process involving protective group chemistry, silylation, and subsequent deprotection. The key steps include the formation of a Boc-protected intermediate, followed by modification to introduce the desired functional groups. The overall yield is moderate, with careful control over reaction conditions to achieve high selectivity. CAS: 1651214-74-2

What industries use N-Boc Palbociclib (CAS: 1651214-74-2)?

N-Boc Palbociclib is primarily used in the pharmaceutical industry for the development of anti-cancer drugs. It is also utilized in research settings for studying cellular processes and drug mechanisms. While not commonly found in other industries, its applications in polymers and sensors are increasingly explored due to its chemical versatility. CAS: 1651214-74-2

What precautions should be taken when handling N-Boc Palbociclib (CAS: 1651214-74-2)?

When handling N-Boc Palbociclib (CAS: 1651214-74-2), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be managed by absorbing them with an appropriate non-flammable material and disposing of the waste in accordance with local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions. CAS: 1651214-74-2