tert-Butyl 4-[6-[[6-(1-Butoxyethenyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-yl]amino]-pyridin-3-yl]-piperazine-1-carboxylate

Basic Information

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CAS Number

866084-31-3

Molecular Formula

C32H43N7O4

Molecular Weight

603.77 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

764.2°C at 760 mmHg

SMILES

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O=C(N1CCN(C2=CC=C(NC3=NC=C(C(C)=C(C(OCCCC)=C)C(N4C5CCCC5)=O)C4=N3)N=C2)CC1)OC(C)(C)C

InChI

InChI=1S/C33H45N7O4/c1-7-8-19-43-23(3)28-22(2)26-21-35-31(37-29(26)40(30(28)41)24-11-9-10-12-24)36-27-14-13-25(20-34-27)38-15-17-39(18-16-38)32(42)44-33(4,5)6/h13-14,20-21,24H,3,7-12,15-19H2,1-2,4-6H3,(H,34,35,36,37)

InChIKey

SCWKOLRZBMGTNT-UHFFFAOYSA-N

LogP

6.1981200000000065

Topological Polar Surface Area

114.71000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 11

Complexity

1060

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

tert-butyl 4-(6-(8-cyclopentyl-5-Methyl-7-oxo-6-(1-propoxyvinyl)-7,8-dihydropyrido[2,3-d]pyriMidin-2-ylaMino)pyridin-3-yl)piperazine-1-carboxylate
2-Methyl-2-propanyl 4-(6-{[8-cyclopentyl-5-methyl-7-oxo-6-(1-prop oxyvinyl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}-3-pyridin yl)-1-piperazinecarboxylate
TERT-BUTYL 4-(6-(8-CYCLOPENTYL-5-METHYL-7-OXO-6-(1-PROPOXYVINYL)-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDIN-2-YLAMINO)PYRIDIN-3-...
tert-butyl 4-(6-(8-cyclopentyl-5-Methyl-7-oxo-6-(1-propoxyvinyl)-7,8-dihydropyrido[2,3-d]pyriMidin-2-ylaMino)pyridin-3-yl)pip
tert-butyl 4-(6-((6-(1-butoxyvinyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylate
4-[6-[6-(1-butoxy-vinyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-pyridin-3-yl]-piperazine-1-carboxylic acid tert-butyl ester
4-{6-[6-(1-butoxy-vinyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-pyridin-3-yl}-piperazine-1-carboxylic acid tert-butyl ester
Tert-butyl 4-[6-[[6-(1-butoxyethenyl)-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]
4-[6-[[6-(1-Butoxyvinyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]pyridin-3-yl]piperazine-1-carboxylic acid tert-butyl ester
tert-butyl 4-[6-[[6-(1-butoxyethenyl)-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyridin-3-yl]piperazine-1-carboxylate
4-[6-[6-(1-butoxy-vinyl)-8-cyclopentyl-5-met

MDL Number

MFCD28978558

FAQ

What are the physical and chemical properties of tert-Butyl 4-[6-[[6-(1-Butoxyethenyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-yl]amino]-pyridin-3-yl]-piperazine-1-carboxylate (CAS: 866084-31-3)?

This compound is a crystalline solid with a molecular weight of approximately 612.78 g/mol. It has low water solubility and moderate solubility in organic solvents. The compound is reactive, showing significant reactivity toward nucleophilic substitutions and can undergo hydrolysis under basic conditions. It is not flammable but should be handled under appropriate safety precautions.

How is tert-Butyl 4-[6-[[6-(1-Butoxyethenyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-yl]amino]-pyridin-3-yl]-piperazine-1-carboxylate (CAS: 866084-31-3) typically synthesized?

The synthesis of this compound typically involves multistep reactions, including the synthesis of the pyrido-pyrimidine core, coupling reactions, and piperazine derivatization. Commonly used catalysts and reagents include various organometallics, acyl chlorides, and amines. The process requires careful control of reaction conditions to achieve high yield and purity.

What industries use tert-Butyl 4-[6-[[6-(1-Butoxyethenyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-yl]amino]-pyridin-3-yl]-piperazine-1-carboxylate (CAS: 866084-31-3)?

This compound is primarily used in pharmaceuticals, where it serves as an intermediate for drug development. It may also find applications in other industries such as polymer chemistry and material science, particularly in the development of new functional materials with unique properties.

What precautions should be taken when handling tert-Butyl 4-[6-[[6-(1-Butoxyethenyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-yl]amino]-pyridin-3-yl]-piperazine-1-carboxylate (CAS: 866084-31-3)?

When handling this compound, wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Perform all operations in a well-ventilated fume hood to avoid inhalation of fumes. Spills should be handled with appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for specific guidelines. This compound is not flammable but may require special handling due to its reactivity and solubility properties.